1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid

C13H24N2O4S — CID 60857587

IUPAC1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC1CCCCC1NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-10-6-2-3-7-11(10)14-20(18,19)15-9-5-4-8-12(15)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyXGYFMDQCSHNRJI-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.34
Rot. Bonds4

About 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid

1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60857587) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60857587
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC1CCCCC1NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-10-6-2-3-7-11(10)14-20(18,19)15-9-5-4-8-12(15)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyXGYFMDQCSHNRJI-UHFFFAOYSA-N
XLogP1.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64817232
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-(cyanosulfamoyl)piperidine-2-carboxylic acid
CID 79194973
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94808986
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79561600
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 104922367
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid (CID 60857587) is 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid is CC1CCCCC1NS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is XGYFMDQCSHNRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-10-6-2-3-7-11(10)14-20(18,19)15-9-5-4-8-12(15)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60857587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).