N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide

C14H25N3O2S — CID 62147366

IUPACN-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C(C)CCC)cn1
InChIInChI=1S/C14H25N3O2S/c1-5-7-12(3)17(4)20(18,19)13-8-9-14(16-11-13)15-10-6-2/h8-9,11-12H,5-7,10H2,1-4H3,(H,15,16)
InChIKeyIBXKSLNXTKODOR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.71
Rot. Bonds8

About N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide

N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62147366) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62147366
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C(C)CCC)cn1
InChIInChI=1S/C14H25N3O2S/c1-5-7-12(3)17(4)20(18,19)13-8-9-14(16-11-13)15-10-6-2/h8-9,11-12H,5-7,10H2,1-4H3,(H,15,16)
InChIKeyIBXKSLNXTKODOR-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 115987150
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 63726875
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 79386348
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
5-[methyl(pentan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614174
2-hydrazinyl-N-methyl-N-pentan-2-ylpyrimidine-5-sulfonamide
CID 61329895
N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044291
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62151361

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide (CID 62147366) is N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)N(C)C(C)CCC)cn1.
What is the InChIKey of N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is IBXKSLNXTKODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-7-12(3)17(4)20(18,19)13-8-9-14(16-11-13)15-10-6-2/h8-9,11-12H,5-7,10H2,1-4H3,(H,15,16).
What are the key properties of N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide?
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62147366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).