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

C15H27N3O2S — CID 62152933

IUPACN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-9-16-15-14(8-7-10-17-15)21(19,20)18(5)13(4)11-12(2)3/h7-8,10,12-13H,6,9,11H2,1-5H3,(H,16,17)
InChIKeyPQISGRCKYPZPJF-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.96
Rot. Bonds8

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

N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62152933) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62152933
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-9-16-15-14(8-7-10-17-15)21(19,20)18(5)13(4)11-12(2)3/h7-8,10,12-13H,6,9,11H2,1-5H3,(H,16,17)
InChIKeyPQISGRCKYPZPJF-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
CID 62152581
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
N-(cyclopropylmethyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62146200
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-sulfonamide
CID 55043917
N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63925751
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
N-cyclopropyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144651
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62146077
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide (CID 62152933) is N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)N(C)C(C)CC(C)C.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is PQISGRCKYPZPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-9-16-15-14(8-7-10-17-15)21(19,20)18(5)13(4)11-12(2)3/h7-8,10,12-13H,6,9,11H2,1-5H3,(H,16,17).
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62152933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).