1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid

C13H24N2O5S — CID 102631724

IUPAC1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
SMILESCN(C1CCCCC1O)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-14(11-6-2-3-7-12(11)16)21(19,20)15-8-4-5-10(9-15)13(17)18/h10-12,16H,2-9H2,1H3,(H,17,18)
InChIKeyHDATUKPUNCUBMQ-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.26
Rot. Bonds4

About 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid

1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 102631724) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID102631724
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
SMILESCN(C1CCCCC1O)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-14(11-6-2-3-7-12(11)16)21(19,20)15-8-4-5-10(9-15)13(17)18/h10-12,16H,2-9H2,1H3,(H,17,18)
InChIKeyHDATUKPUNCUBMQ-UHFFFAOYSA-N
XLogP0.26
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858102
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859891
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 112658011
1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857619

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid (CID 102631724) is 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid is CN(C1CCCCC1O)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is HDATUKPUNCUBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-14(11-6-2-3-7-12(11)16)21(19,20)15-8-4-5-10(9-15)13(17)18/h10-12,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid?
1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 102631724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).