Basic information
- CAS
1089282-91-6- Standard SMILES
CCc1cc(N)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1- InChIKey
TUCFDPPRLPSXFQ-UHFFFAOYSA-N- Molecular formula
- C19H32N4O3S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.21951207
Names & identifiers
- Preferred name
- 5-Ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline
- IUPAC
- 5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
- English name
- 5-ethyl-2-Methoxy-4-(4-(4-(Methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline
- Molecular formula
- C19H32N4O3S
- Molecular weight
- 396.55
Names & synonyms
1089282-91-65-ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline5-ETHYL-4-[4-(4-METHANESULFONYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]-2-METHOXYANILINESCHEMBL311308C19H32N4O3STUCFDPPRLPSXFQ-UHFFFAOYSA-NDTXSID701129963CS-M1014MFCD18642952AKOS037649845CS-13764
Show more names
Benzenamine, 5-ethyl-2-methoxy-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]-
DB-100319C117535-ethyl-2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}aniline5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)-1-piperidyl]aniline5-Ethyl-2-methoxy-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]benzenamine5-Ethyl-4-{4-[4-(methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyaniline
Database identifiers
- CAS
1089282-91-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Boiling point
- 591.5 · 591.5±60.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 7.86 · 7.86±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
郑州药领医药科技有限公司13526569071 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
上海佰纳医药科技有限公司021-58123769 18678586262 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海佰纳医药科技有限公司021-58123769 17721400256 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Related reactions
9 records
Compound notes
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