N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide

C15H25N3O2S — CID 63830359

IUPACN-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C15H25N3O2S/c1-3-10-16-14-13(7-6-11-17-14)21(19,20)18-12-15(2)8-4-5-9-15/h6-7,11,18H,3-5,8-10,12H2,1-2H3,(H,16,17)
InChIKeyCQEDBYCBSFOYMO-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.76
Rot. Bonds7

About N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide

N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 63830359) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
PubChem CID63830359
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C15H25N3O2S/c1-3-10-16-14-13(7-6-11-17-14)21(19,20)18-12-15(2)8-4-5-9-15/h6-7,11,18H,3-5,8-10,12H2,1-2H3,(H,16,17)
InChIKeyCQEDBYCBSFOYMO-UHFFFAOYSA-N
XLogP2.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide
CID 55043650
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300099
N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63706789
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
2-(ethylamino)-N-(1-methylcyclobutyl)pyridine-3-sulfonamide
CID 113485963

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide (CID 63830359) is N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)NCC1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is CQEDBYCBSFOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-10-16-14-13(7-6-11-17-14)21(19,20)18-12-15(2)8-4-5-9-15/h6-7,11,18H,3-5,8-10,12H2,1-2H3,(H,16,17).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide?
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63830359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).