N-(2-Methylcyclopropyl)-5-{[(propan-2-yl)amino]methyl}-1H-pyrrole-3-sulfonamide

HCID 65784151

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1496734-88-3
Standard SMILES: CC(C)NCc1cc(S(=O)(=O)NC2CC2C)c[nH]1
InChIKey: VOIOBWNCZPSFFW-UHFFFAOYSA-N
Molecular formula: C12H21N3O2S
Average molar mass: 271.38 g/mol
Monoisotopic mass: 271.13544809

Names & identifiers

Preferred name: N-(2-Methylcyclopropyl)-5-{[(propan-2-yl)amino]methyl}-1H-pyrrole-3-sulfonamide
IUPAC: N-(2-methylcyclopropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide

Names & synonyms

DTXSID201130305AKOS0151244721H-Pyrrole-3-sulfonamide, N-(2-methylcyclopropyl)-5-[[(1-methylethyl)amino]methyl]-N-(2-Methylcyclopropyl)-5-{[(propan-2-yl)amino]methyl}-1H-pyrrole-3-sulfonamide1496734-88-3

Database identifiers

CAS: 1496734-88-3
PubChem CID: 65784151
DTXSID: DTXSID201130305

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 82.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 377

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…