1-メチルシクロプロパンスルホンアミド

1-Methylcyclopropane-1-sulfonamide

HCID 21889814

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 669008-26-8
標準SMILES: CC1(S(N)(=O)=O)CC1
InChIKey: ATJVVVCODTXRAE-UHFFFAOYSA-N
分子式: C4H9NO2S
平均分子量: 135.19 g/mol
単同位体質量: 135.03539953

名称と識別子

優先名称: 1-Methylcyclopropane-1-sulfonamide
IUPAC: 1-methylcyclopropane-1-sulfonamide
現地名: 1-メチルシクロプロパンスルホンアミド
英語名: 1-Methyl-cyclopropanesulfonic acid amide
分子式: C4H9NO2S
分子量: 135.18

名称と別名

1-methylcyclopropane-1-sulfonamide1-MethylcyclopropanesulfonamideCyclopropanesulfonamide, 1-methyl-Glecaprevir metabolite M8R36SPL699QDTXSID10619521RefChem:76380DTXCID20570275812-573-1669008-26-81-Methyl-cyclopropanesulfonic acid amideMFCD11501466

名称をさらに表示

1-メチルシクロプロパンスルホンアミドEOS-60413MethylcyclopropylsulfonaMideMETHYL CYCLOPROPANE SULFONAMIDE1-Methylcyclopropanesulphonamide1-methylcyclopropanesulfonylamide1-methyl-1-cyclopropanesulfonamide

Cyclopropanesulfonamide, 1-methyl- (9CI)1-METHYL-CYCLOPROPYL SULFONAMIDEUNII-R36SPL699QSCHEMBL509651-methylcyclopropylsulfonamidemethylcyclopropane sulphonamide1-methyl-cyclopropylsulfonamidemethylcyclopropanesulfonic amide

データベース識別子

CAS: 669008-26-8
PubChem CID: 21889814
DTXSID: DTXSID10619521
UNII: R36SPL699Q
EC Number: 812-573-1

物性

構造計算による物性

XLogP: -0.3
極性表面積: 68.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 185

物理化学的性質

融点: 103 · 103-104 °C(Solv: hexane (110-54-3))
沸点: 246.4 · 246.4±23.0 °C(Predicted)
比重(密度): 1.34 · 1.34±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 10.93 · 10.93±0.20(Predicted)
InChI: InChI=1S/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)
InChIKey: ATJVVVCODTXRAE-UHFFFAOYSA-N
SMILES: C1(C)(S(N)(=O)=O)CC1

化学的性質

化学的特性Pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

応用分野 · 1 件

使用1-Methyl-cyclopropanesulfonic acid amide is a drug that inhibits the activity of serine protease. It has been shown to inhibit the replication of hepatitis C virus and HIV, while also inhibiting the enzymatic activity of human leukocyte elastase.