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

C12H22N2O4S — CID 60857937

IUPAC1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCCN(C1CC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4S/c1-2-7-14(11-5-6-11)19(17,18)13-8-3-4-10(9-13)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyOVWSPSVAYCVKOD-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.90
Rot. Bonds6

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

1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60857937) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60857937
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCCN(C1CC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4S/c1-2-7-14(11-5-6-11)19(17,18)13-8-3-4-10(9-13)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyOVWSPSVAYCVKOD-UHFFFAOYSA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859891
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858615
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857619
3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
CID 60830000
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859412
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 112658011
N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 66214864
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60857937) is 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid is CCCN(C1CC1)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is OVWSPSVAYCVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-2-7-14(11-5-6-11)19(17,18)13-8-3-4-10(9-13)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60857937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).