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

C13H20N2O4S — CID 65123067

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C13H20N2O4S/c1-10-3-2-5-13(17,7-10)9-15-20(18,19)12-8-14-6-4-11(12)16/h4,6,8,10,15,17H,2-3,5,7,9H2,1H3,(H,14,16)
InChIKeyRTPZUQGLMURYPA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.59
Rot. Bonds4

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

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 65123067) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID65123067
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C13H20N2O4S/c1-10-3-2-5-13(17,7-10)9-15-20(18,19)12-8-14-6-4-11(12)16/h4,6,8,10,15,17H,2-3,5,7,9H2,1H3,(H,14,16)
InChIKeyRTPZUQGLMURYPA-UHFFFAOYSA-N
XLogP0.59
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123019
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121358
4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65121452
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65115857
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide
CID 103300172
3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121305
1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
CID 115754155
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847940
3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
CID 114815697
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
CID 79098492
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (CID 65123067) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is CC1CCCC(O)(CNS(=O)(=O)c2c[nH]ccc2=O)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is RTPZUQGLMURYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-3-2-5-13(17,7-10)9-15-20(18,19)12-8-14-6-4-11(12)16/h4,6,8,10,15,17H,2-3,5,7,9H2,1H3,(H,14,16).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 65123067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).