N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide

C15H27N3O2S — CID 115327205

IUPACN-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccncc1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C15H27N3O2S/c1-4-9-17-14-8-11-16-12-15(14)21(19,20)18-10-6-5-7-13(2)3/h8,11-13,18H,4-7,9-10H2,1-3H3,(H,16,17)
InChIKeyKSNQDUOYDLNNIA-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.01
Rot. Bonds10

About N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide

N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide (PubChem CID 115327205) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide
PubChem CID115327205
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccncc1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C15H27N3O2S/c1-4-9-17-14-8-11-16-12-15(14)21(19,20)18-10-6-5-7-13(2)3/h8,11-13,18H,4-7,9-10H2,1-3H3,(H,16,17)
InChIKeyKSNQDUOYDLNNIA-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide (CID 115327205) is N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide is CCCNc1ccncc1S(=O)(=O)NCCCCC(C)C.
What is the InChIKey of N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide?
The InChIKey is KSNQDUOYDLNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-9-17-14-8-11-16-12-15(14)21(19,20)18-10-6-5-7-13(2)3/h8,11-13,18H,4-7,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide?
N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 115327205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).