N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide

C13H23N3O3S — CID 79386348

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cn1
InChIInChI=1S/C13H23N3O3S/c1-5-8-14-12-7-6-11(9-15-12)20(18,19)16(4)10-13(2,3)17/h6-7,9,17H,5,8,10H2,1-4H3,(H,14,15)
InChIKeyLZMLVUZCPJPQRD-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.29
Rot. Bonds7

About N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 79386348) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
PubChem CID79386348
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cn1
InChIInChI=1S/C13H23N3O3S/c1-5-8-14-12-7-6-11(9-15-12)20(18,19)16(4)10-13(2,3)17/h6-7,9,17H,5,8,10H2,1-4H3,(H,14,15)
InChIKeyLZMLVUZCPJPQRD-UHFFFAOYSA-N
XLogP1.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 63726875
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
CID 62147366
N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
CID 62147992
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 115987150
N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145628
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-sulfonamide
CID 62337809
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide
CID 79386966
5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 79377760
N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-sulfonamide
CID 63940107
N-butyl-N-cyclopropyl-6-(propylamino)pyridine-3-sulfonamide
CID 62156743
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387236

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide (CID 79386348) is N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cn1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is LZMLVUZCPJPQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-5-8-14-12-7-6-11(9-15-12)20(18,19)16(4)10-13(2,3)17/h6-7,9,17H,5,8,10H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 79386348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).