1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid

C14H19NO5S — CID 81264716

IUPAC1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCOc1cccc(S(=O)(=O)N2CCC(C)(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO5S/c1-14(13(16)17)6-8-15(9-7-14)21(18,19)12-5-3-4-11(10-12)20-2/h3-5,10H,6-9H2,1-2H3,(H,16,17)
InChIKeyALVSRSKVXIPBDE-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.57
Rot. Bonds4

About 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid

1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 81264716) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
PubChem CID81264716
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCOc1cccc(S(=O)(=O)N2CCC(C)(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO5S/c1-14(13(16)17)6-8-15(9-7-14)21(18,19)12-5-3-4-11(10-12)20-2/h3-5,10H,6-9H2,1-2H3,(H,16,17)
InChIKeyALVSRSKVXIPBDE-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

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid
CID 81258397
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
CID 163316787
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123808
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
2-[1-(3-methoxyphenyl)sulfonyl-4-(phenoxymethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 155990467
2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid (CID 81264716) is 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid is COc1cccc(S(=O)(=O)N2CCC(C)(C(=O)O)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is ALVSRSKVXIPBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-14(13(16)17)6-8-15(9-7-14)21(18,19)12-5-3-4-11(10-12)20-2/h3-5,10H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-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-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 81264716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).