1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid

C11H20N2O4S — CID 60859891

IUPAC1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCN(C1CC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4S/c1-2-13(10-5-6-10)18(16,17)12-7-3-4-9(8-12)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyXVZROZPVWDSWDV-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.51
Rot. Bonds5

About 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid

1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60859891) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60859891
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCN(C1CC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4S/c1-2-13(10-5-6-10)18(16,17)12-7-3-4-9(8-12)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyXVZROZPVWDSWDV-UHFFFAOYSA-N
XLogP0.51
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857937
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858615
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857619
1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859412
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 112658011
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
CID 102631724
1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858102

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60859891) is 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid is CCN(C1CC1)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is XVZROZPVWDSWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-2-13(10-5-6-10)18(16,17)12-7-3-4-9(8-12)11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60859891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).