1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid

C12H22N2O5S — CID 106359331

IUPAC1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC2CCCC2CO)C1
InChIInChI=1S/C12H22N2O5S/c15-8-10-3-1-5-11(10)13-20(18,19)14-6-2-4-9(7-14)12(16)17/h9-11,13,15H,1-8H2,(H,16,17)
InChIKeyAIUYEOGZDJQQQQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.22
Rot. Bonds5

About 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid

1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 106359331) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
PubChem CID106359331
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC2CCCC2CO)C1
InChIInChI=1S/C12H22N2O5S/c15-8-10-3-1-5-11(10)13-20(18,19)14-6-2-4-9(7-14)12(16)17/h9-11,13,15H,1-8H2,(H,16,17)
InChIKeyAIUYEOGZDJQQQQ-UHFFFAOYSA-N
XLogP-0.22
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 107848198
N-[2-(hydroxymethyl)cyclopentyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103836020
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858440
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858615

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid (CID 106359331) is 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NC2CCCC2CO)C1.
What is the InChIKey of 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is AIUYEOGZDJQQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c15-8-10-3-1-5-11(10)13-20(18,19)14-6-2-4-9(7-14)12(16)17/h9-11,13,15H,1-8H2,(H,16,17).
What are the key properties of 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid?
1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106359331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).