5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid

C15H20N2O5S — CID 125119082

IUPAC5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)nc1)[C@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S/c1-17(12-5-3-4-6-13(12)23(2,21)22)14(18)10-7-8-11(15(19)20)16-9-10/h7-9,12-13H,3-6H2,1-2H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyWSPQMHSPHUNBDM-QWHCGFSZSA-N
MW340.40 g/mol
LogP1.21
Rot. Bonds4

About 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid

5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 125119082) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID125119082
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)nc1)[C@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S/c1-17(12-5-3-4-6-13(12)23(2,21)22)14(18)10-7-8-11(15(19)20)16-9-10/h7-9,12-13H,3-6H2,1-2H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyWSPQMHSPHUNBDM-QWHCGFSZSA-N
XLogP1.21
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid 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

4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
5-[methyl-(4-methylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725247
6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 136556641
N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 97085588
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 120635998
6-bromo-N-methyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 66463517
N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
CID 71969741
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 124736707
5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
CID 102632504
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
CID 102638056
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119129619

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid (CID 125119082) is 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid is CN(C(=O)c1ccc(C(=O)O)nc1)[C@H]1CCCC[C@H]1S(C)(=O)=O.
What is the InChIKey of 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WSPQMHSPHUNBDM-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-17(12-5-3-4-6-13(12)23(2,21)22)14(18)10-7-8-11(15(19)20)16-9-10/h7-9,12-13H,3-6H2,1-2H3,(H,19,20)/t12-,13+/m0/s1.
What are the key properties of 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 125119082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).