1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid

C13H24N2O4S — CID 43245120

IUPAC1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4S/c1-14(12-5-3-2-4-6-12)20(18,19)15-9-7-11(8-10-15)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyLJSIOCBIICHHBC-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.29
Rot. Bonds4

About 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid

1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 43245120) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID43245120
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4S/c1-14(12-5-3-2-4-6-12)20(18,19)15-9-7-11(8-10-15)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyLJSIOCBIICHHBC-UHFFFAOYSA-N
XLogP1.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid (CID 43245120) is 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid is CN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is LJSIOCBIICHHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-14(12-5-3-2-4-6-12)20(18,19)15-9-7-11(8-10-15)13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43245120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).