4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid

C11H22N2O4S — CID 43329697

IUPAC4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCCCN1S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-10-6-3-4-9-13(10)18(16,17)12(2)8-5-7-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyIWHLCTNVYPAYLZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.90
Rot. Bonds6

About 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid

4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 43329697) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID43329697
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCCCN1S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H22N2O4S/c1-10-6-3-4-9-13(10)18(16,17)12(2)8-5-7-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyIWHLCTNVYPAYLZ-UHFFFAOYSA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
4-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361576
1-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60951307
1-Piperidinebutanoic acid, 2-methyl-
CID 20568358
4-(2,6-Dimethyl-piperidin-1-yl)-butyric acid
CID 20991772
4-[Methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 20992330
4-(2-Ethylpiperidyl)butanoic acid
CID 22683286
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 27351613
4-[(2S)-2-methylpiperidin-1-yl]butanoic acid
CID 42304072
4-[Methyl-(1-propan-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64283647
4-(2-Methylpiperidin-1-yl)butanoic acid hydrochloride
CID 70565727

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 43329697) is 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CCCCN1S(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is IWHLCTNVYPAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-10-6-3-4-9-13(10)18(16,17)12(2)8-5-7-11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 278.37 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 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43329697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).