6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid

C12H16N2O4S — CID 122083302

IUPAC6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H16N2O4S/c1-9-4-5-10(12(15)16)8-14(9)19(17,18)11-3-2-6-13-7-11/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,16)
InChIKeyVTWVIYGQQXRAMH-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.96
Rot. Bonds3

About 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid

6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 122083302) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID122083302
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H16N2O4S/c1-9-4-5-10(12(15)16)8-14(9)19(17,18)11-3-2-6-13-7-11/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,16)
InChIKeyVTWVIYGQQXRAMH-UHFFFAOYSA-N
XLogP0.96
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-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

(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
6-methyl-1-(3-propan-2-ylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104341
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
6-methyl-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122083292
6-methyl-1-(4-propylsulfonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104625
1-(3,5-dimethoxyphenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104307
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 53245887
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122083322
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122083384
1-(3-chloro-2-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122083294

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid (CID 122083302) is 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is VTWVIYGQQXRAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-9-4-5-10(12(15)16)8-14(9)19(17,18)11-3-2-6-13-7-11/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,15,16).
What are the key properties of 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid?
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).