N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide

C15H24N2O2S — CID 64920857

IUPACN-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCC(C)C2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-11-4-9-15(12(11)2)17-20(18,19)14-7-5-13(6-8-14)10-16-3/h5-8,11-12,15-17H,4,9-10H2,1-3H3
InChIKeyPMGSETAAXYFGEI-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.12
Rot. Bonds5

About N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide

N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 64920857) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID64920857
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCC(C)C2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-11-4-9-15(12(11)2)17-20(18,19)14-7-5-13(6-8-14)10-16-3/h5-8,11-12,15-17H,4,9-10H2,1-3H3
InChIKeyPMGSETAAXYFGEI-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106069133
3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069106
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
6-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64909491
6-cyano-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 114613875
3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide
CID 55071483
N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64923262

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide (CID 64920857) is N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC2CCC(C)C2C)cc1.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is PMGSETAAXYFGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-4-9-15(12(11)2)17-20(18,19)14-7-5-13(6-8-14)10-16-3/h5-8,11-12,15-17H,4,9-10H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide?
N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 64920857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).