N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide

C13H23N3O2S2 — CID 103307489

IUPACN-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(CC)CSC
InChIInChI=1S/C13H23N3O2S2/c1-4-8-14-12-7-6-9-15-13(12)20(17,18)16-11(5-2)10-19-3/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3
InChIKeyKFKPWFPTYKXJDA-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.32
Rot. Bonds9

About N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide

N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103307489) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103307489
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(CC)CSC
InChIInChI=1S/C13H23N3O2S2/c1-4-8-14-12-7-6-9-15-13(12)20(17,18)16-11(5-2)10-19-3/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3
InChIKeyKFKPWFPTYKXJDA-UHFFFAOYSA-N
XLogP2.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306201
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307693
3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide
CID 103307516
N-(1-cyclobutylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307553
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (CID 103307489) is N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NC(CC)CSC.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is KFKPWFPTYKXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-8-14-12-7-6-9-15-13(12)20(17,18)16-11(5-2)10-19-3/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103307489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).