1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid

C13H24N2O4S — CID 60858431

IUPAC1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCCCC2)C1
InChIInChI=1S/C13H24N2O4S/c16-13(17)12-7-4-8-15(10-12)20(18,19)14-9-11-5-2-1-3-6-11/h11-12,14H,1-10H2,(H,16,17)
InChIKeyYAXYEGQQXCYWIC-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.20
Rot. Bonds5

About 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid

1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 60858431) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID60858431
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCCCC2)C1
InChIInChI=1S/C13H24N2O4S/c16-13(17)12-7-4-8-15(10-12)20(18,19)14-9-11-5-2-1-3-6-11/h11-12,14H,1-10H2,(H,16,17)
InChIKeyYAXYEGQQXCYWIC-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 81043349
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid (CID 60858431) is 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is YAXYEGQQXCYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c16-13(17)12-7-4-8-15(10-12)20(18,19)14-9-11-5-2-1-3-6-11/h11-12,14H,1-10H2,(H,16,17).
What are the key properties of 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid?
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 60858431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).