1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid

C12H21NO4S — CID 106742365

IUPAC1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H21NO4S/c1-9-8-10(12(14)15)6-7-13(9)18(16,17)11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyHTWDERPCGRMQDL-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.44
Rot. Bonds3

About 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid

1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742365) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
PubChem CID106742365
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H21NO4S/c1-9-8-10(12(14)15)6-7-13(9)18(16,17)11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyHTWDERPCGRMQDL-UHFFFAOYSA-N
XLogP1.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742382
2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid
CID 106742411
2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid
CID 106742454
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742367
1-cyclopropylsulfonyl-2-methylpiperidin-4-amine
CID 115312667
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
2-methyl-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylic acid
CID 106742467
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid (CID 106742365) is 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1S(=O)(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid?
The InChIKey is HTWDERPCGRMQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-9-8-10(12(14)15)6-7-13(9)18(16,17)11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid?
1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).