1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid

C11H22N2O4S — CID 62693713

IUPAC1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCC(C)CNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-9(2)7-12-18(16,17)13-6-4-5-10(8-13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyCOMVRXDULIOZFD-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.66
Rot. Bonds6

About 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid

1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 62693713) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID62693713
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCC(C)CNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-9(2)7-12-18(16,17)13-6-4-5-10(8-13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyCOMVRXDULIOZFD-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid (CID 62693713) is 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid is CCC(C)CNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is COMVRXDULIOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-9(2)7-12-18(16,17)13-6-4-5-10(8-13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid?
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 278.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62693713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).