N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide

C12H19N3O2S — CID 62145518

IUPACN-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-13-12-11(7-4-8-14-12)18(16,17)15-9-10-5-2-3-6-10/h4,7-8,10,15H,2-3,5-6,9H2,1H3,(H,13,14)
InChIKeyKPSRFNFSYLBAAP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.59
Rot. Bonds5

About N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide

N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62145518) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62145518
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-13-12-11(7-4-8-14-12)18(16,17)15-9-10-5-2-3-6-10/h4,7-8,10,15H,2-3,5-6,9H2,1H3,(H,13,14)
InChIKeyKPSRFNFSYLBAAP-UHFFFAOYSA-N
XLogP1.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62824766
2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79356890
2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 114130685
N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63995591
N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63706789
N-(2-hydroxycyclohexyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55063851
N-cyclopropyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62146294
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55043958
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide (CID 62145518) is N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is KPSRFNFSYLBAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-12-11(7-4-8-14-12)18(16,17)15-9-10-5-2-3-6-10/h4,7-8,10,15H,2-3,5-6,9H2,1H3,(H,13,14).
What are the key properties of N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62145518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).