Basic information
- CAS
179556-58-2- Standard SMILES
CCN(c1ncccc1COC)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1- InChIKey
CACRBZIDSIEGGV-UHFFFAOYSA-N- Molecular formula
- C24H31N5O4S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.20967566
Names & identifiers
- Preferred name
- 4-Piperidinamine, N-ethyl-N-(3-(methoxymethyl)-2-pyridinyl)-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
- IUPAC
- N-[2-[4-[ethyl-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Names & synonyms
179556-58-24-Piperidinamine, N-ethyl-N-(3-(methoxymethyl)-2-pyridinyl)-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-DTXSID20170830N-(2-(1-(4-(Ethyl-(3-methoxymethyl-pyridin-2-yl)-amino)-piperidin-1-yl)-methanoyl)-1H-indol-5-yl)-methanesulfonamide4-Piperidinamine, N-ethyl-N-[3-(methoxymethyl)-2-pyridinyl]-1-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-N-[2-(1-{4-[Ethyl-(3-methoxymethyl-pyridin-2-yl)-amino]-piperidin-1-yl}-methanoyl)-1H-indol-5-yl]-methanesulfonamideRefChem:295588DTXCID7093321CHEMBL134106BDBM50081625N-[2-(4-{ethyl[3-(methoxymethyl)pyridin-2-yl]amino}piperidine-1-carbonyl)-1H-indol-5-yl]methanesulfonamideN-(2-{4-[Ethyl-(3-methoxymethyl-pyridin-2-yl)-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamide
Show more names
N-[2-[4-[ethyl-[3-(methoxymethyl)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 783
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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