N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide

C15H25N3O2S — CID 64923262

IUPACN-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC2CCC(C)C2C)cn1
InChIInChI=1S/C15H25N3O2S/c1-4-9-16-15-8-6-13(10-17-15)21(19,20)18-14-7-5-11(2)12(14)3/h6,8,10-12,14,18H,4-5,7,9H2,1-3H3,(H,16,17)
InChIKeyUIHYQEIJPJIWPH-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.62
Rot. Bonds6

About N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide

N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 64923262) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID64923262
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC2CCC(C)C2C)cn1
InChIInChI=1S/C15H25N3O2S/c1-4-9-16-15-8-6-13(10-17-15)21(19,20)18-14-7-5-11(2)12(14)3/h6,8,10-12,14,18H,4-5,7,9H2,1-3H3,(H,16,17)
InChIKeyUIHYQEIJPJIWPH-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide (CID 64923262) is N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NC2CCC(C)C2C)cn1.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is UIHYQEIJPJIWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-9-16-15-8-6-13(10-17-15)21(19,20)18-14-7-5-11(2)12(14)3/h6,8,10-12,14,18H,4-5,7,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide?
N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64923262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).