N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide

C14H25N3O2S — CID 103304534

IUPACN-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-8-15-13-7-6-9-16-14(13)20(18,19)17-12(4)10-11(2)3/h6-7,9,11-12,15,17H,5,8,10H2,1-4H3
InChIKeyPWTYJOUKSMWFNF-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.62
Rot. Bonds8

About N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide

N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103304534) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103304534
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-8-15-13-7-6-9-16-14(13)20(18,19)17-12(4)10-11(2)3/h6-7,9,11-12,15,17H,5,8,10H2,1-4H3
InChIKeyPWTYJOUKSMWFNF-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide
CID 103307516
N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307693
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-(1-cyclobutylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307553
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307489
N-(1-methoxypentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306201
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (CID 103304534) is N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NC(C)CC(C)C.
What is the InChIKey of N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is PWTYJOUKSMWFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-8-15-13-7-6-9-16-14(13)20(18,19)17-12(4)10-11(2)3/h6-7,9,11-12,15,17H,5,8,10H2,1-4H3.
What are the key properties of N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103304534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).