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

C14H19NO5S — CID 104595640

IUPAC1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-14(13(16)17)9-3-4-10-15(14)21(18,19)12-7-5-11(20-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeySRTRGXFZTBEBEC-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.71
Rot. Bonds4

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

1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595640) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
PubChem CID104595640
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-14(13(16)17)9-3-4-10-15(14)21(18,19)12-7-5-11(20-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeySRTRGXFZTBEBEC-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid
CID 81258397
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 83059060
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595604
methyl 3-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylate
CID 90883271
(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265567
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
CID 114463047
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071128
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid (CID 104595640) is 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid is COc1ccc(S(=O)(=O)N2CCCCC2(C)C(=O)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid?
The InChIKey is SRTRGXFZTBEBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-14(13(16)17)9-3-4-10-15(14)21(18,19)12-7-5-11(20-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid?
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.71, 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-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).