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

C15H27N3O2S — CID 103305537

IUPACN-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-9-16-14-8-7-10-17-15(14)21(19,20)18(5)13(4)11-12(2)3/h7-8,10,12-13,16H,6,9,11H2,1-5H3
InChIKeyAXKIXDQUBRWSPN-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.96
Rot. Bonds8

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

N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103305537) 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)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103305537
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-9-16-14-8-7-10-17-15(14)21(19,20)18(5)13(4)11-12(2)3/h7-8,10,12-13,16H,6,9,11H2,1-5H3
InChIKeyAXKIXDQUBRWSPN-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)-2-(propylamino)pyridine-3-sulfonamide
CID 62152933
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
CID 62152581
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-ethyl-N-(1-methoxypropan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305051
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306973
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide (CID 103305537) is N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)N(C)C(C)CC(C)C.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is AXKIXDQUBRWSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-9-16-14-8-7-10-17-15(14)21(19,20)18(5)13(4)11-12(2)3/h7-8,10,12-13,16H,6,9,11H2,1-5H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide?
N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-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)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).