2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H24N2O4S — CID 64817232

IUPAC2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-10-6-4-5-9-15(10)20(18,19)14-12-8-3-2-7-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyWTEFMASJLLIENQ-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.34
Rot. Bonds4

About 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid

2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 64817232) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID64817232
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-10-6-4-5-9-15(10)20(18,19)14-12-8-3-2-7-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyWTEFMASJLLIENQ-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

N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 76978346
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 104922367
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857587
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid
CID 122104880
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
CID 43210817
2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
CID 114806690
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 64817232) is 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is CC1CCCCN1S(=O)(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WTEFMASJLLIENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-10-6-4-5-9-15(10)20(18,19)14-12-8-3-2-7-11(12)13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-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 2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).