N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide

C15H27N3O2S — CID 103306299

IUPACN-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(CC)(CC)CC
InChIInChI=1S/C15H27N3O2S/c1-5-11-16-13-10-9-12-17-14(13)21(19,20)18-15(6-2,7-3)8-4/h9-10,12,16,18H,5-8,11H2,1-4H3
InChIKeyOFHKAYSVZXAKMY-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.15
Rot. Bonds9

About N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide

N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103306299) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103306299
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(CC)(CC)CC
InChIInChI=1S/C15H27N3O2S/c1-5-11-16-13-10-9-12-17-14(13)21(19,20)18-15(6-2,7-3)8-4/h9-10,12,16,18H,5-8,11H2,1-4H3
InChIKeyOFHKAYSVZXAKMY-UHFFFAOYSA-N
XLogP3.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276
N-(1-cyclobutylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307553
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242
N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307489

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide (CID 103306299) is N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NC(CC)(CC)CC.
What is the InChIKey of N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is OFHKAYSVZXAKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-11-16-13-10-9-12-17-14(13)21(19,20)18-15(6-2,7-3)8-4/h9-10,12,16,18H,5-8,11H2,1-4H3.
What are the key properties of N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide?
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).