1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid

C13H24N2O5S — CID 106359363

IUPAC1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NC2CCCCC2CO)CC1
InChIInChI=1S/C13H24N2O5S/c16-9-11-3-1-2-4-12(11)14-21(19,20)15-7-5-10(6-8-15)13(17)18/h10-12,14,16H,1-9H2,(H,17,18)
InChIKeyDNVYGAFHJMQSDH-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.17
Rot. Bonds5

About 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid

1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 106359363) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
PubChem CID106359363
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NC2CCCCC2CO)CC1
InChIInChI=1S/C13H24N2O5S/c16-9-11-3-1-2-4-12(11)14-21(19,20)15-7-5-10(6-8-15)13(17)18/h10-12,14,16H,1-9H2,(H,17,18)
InChIKeyDNVYGAFHJMQSDH-UHFFFAOYSA-N
XLogP0.17
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
CID 106359331
N-(2-ethylcyclohexyl)azepane-1-sulfonamide
CID 47030327
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
N-[2-(hydroxymethyl)cyclopentyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103836020
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 60858430
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106002916
1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid
CID 112672372
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid (CID 106359363) is 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NC2CCCCC2CO)CC1.
What is the InChIKey of 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is DNVYGAFHJMQSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c16-9-11-3-1-2-4-12(11)14-21(19,20)15-7-5-10(6-8-15)13(17)18/h10-12,14,16H,1-9H2,(H,17,18).
What are the key properties of 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid?
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106359363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).