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

C14H19NO5S — CID 63123808

IUPAC1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H19NO5S/c1-14(13(16)17)7-9-15(10-8-14)21(18,19)12-6-4-3-5-11(12)20-2/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyRQVGLDGFUJMTDA-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.57
Rot. Bonds4

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

1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123808) has the molecular formula C14H19NO5S and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
PubChem CID63123808
Molecular FormulaC14H19NO5S
Molecular Weight313.37 g/mol
Exact Mass313.10
IUPAC Name1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H19NO5S/c1-14(13(16)17)7-9-15(10-8-14)21(18,19)12-6-4-3-5-11(12)20-2/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyRQVGLDGFUJMTDA-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 ≤ 500313.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145982
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
(4aS,8aS)-7-(2-methoxyphenyl)sulfonyl-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135092481
(3R,4S)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-4-propylpiperidine-4-carboxylic acid
CID 135112795
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
1-(1-benzothiophen-3-ylsulfonyl)-4-methylpiperidine-4-carboxylic acid
CID 132971543
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123877
(1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol
CID 133130616
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
1-(5-ethoxycarbonyl-2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 120968996

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid (CID 63123808) is 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid is COc1ccccc1S(=O)(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is RQVGLDGFUJMTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-14(13(16)17)7-9-15(10-8-14)21(18,19)12-6-4-3-5-11(12)20-2/h3-6H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid has a molecular weight of 313.37 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-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).