N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide

C14H22N2O4S — CID 65123019

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC1(C)CCC(O)(CNS(=O)(=O)c2c[nH]ccc2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-13(2)4-6-14(18,7-5-13)10-16-21(19,20)12-9-15-8-3-11(12)17/h3,8-9,16,18H,4-7,10H2,1-2H3,(H,15,17)
InChIKeyFWJNFOWLTBSLPR-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.98
Rot. Bonds4

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 65123019) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID65123019
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC1(C)CCC(O)(CNS(=O)(=O)c2c[nH]ccc2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-13(2)4-6-14(18,7-5-13)10-16-21(19,20)12-9-15-8-3-11(12)17/h3,8-9,16,18H,4-7,10H2,1-2H3,(H,15,17)
InChIKeyFWJNFOWLTBSLPR-UHFFFAOYSA-N
XLogP0.98
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123067
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide
CID 65121490
5-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121302
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121924
2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115559
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
4-oxo-1H-pyridine-3-sulfonate
CID 7365266
N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114109226

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (CID 65123019) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is CC1(C)CCC(O)(CNS(=O)(=O)c2c[nH]ccc2=O)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FWJNFOWLTBSLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-13(2)4-6-14(18,7-5-13)10-16-21(19,20)12-9-15-8-3-11(12)17/h3,8-9,16,18H,4-7,10H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 65123019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).