1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid

C14H19NO5S — CID 114422053

IUPAC1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2C(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-10-7-8-15(13(9-10)14(16)17)21(18,19)12-5-3-11(20-2)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,16,17)
InChIKeyCLUQVISDZQGJEK-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.57
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid

1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid (PubChem CID 114422053) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
PubChem CID114422053
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2C(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-10-7-8-15(13(9-10)14(16)17)21(18,19)12-5-3-11(20-2)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,16,17)
InChIKeyCLUQVISDZQGJEK-UHFFFAOYSA-N
XLogP1.57
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-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

1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 106605662
1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone
CID 90444401
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
(2S,4R)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 165357520
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid
CID 21340802
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11934998

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid (CID 114422053) is 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid is COc1ccc(S(=O)(=O)N2CCC(C)CC2C(=O)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
The InChIKey is CLUQVISDZQGJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-7-8-15(13(9-10)14(16)17)21(18,19)12-5-3-11(20-2)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114422053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).