N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide

C14H25N3O2S — CID 63003516

IUPACN-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-9-15-14-13(8-6-10-16-14)20(18,19)17-11-5-7-12(2)3/h6,8,10,12,17H,4-5,7,9,11H2,1-3H3,(H,15,16)
InChIKeyHTZUDHXHSHSBKW-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.62
Rot. Bonds9

About N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide

N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 63003516) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID63003516
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-9-15-14-13(8-6-10-16-14)20(18,19)17-11-5-7-12(2)3/h6,8,10,12,17H,4-5,7,9,11H2,1-3H3,(H,15,16)
InChIKeyHTZUDHXHSHSBKW-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63925751
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106240994
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152933
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide (CID 63003516) is N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)NCCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is HTZUDHXHSHSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-9-15-14-13(8-6-10-16-14)20(18,19)17-11-5-7-12(2)3/h6,8,10,12,17H,4-5,7,9,11H2,1-3H3,(H,15,16).
What are the key properties of N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63003516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).