4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid

C11H22N2O4S — CID 43151878

IUPAC4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCCN(S(=O)(=O)N(C)CCCC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-10-5-3-8-13(9-10)18(16,17)12(2)7-4-6-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyVONALHVKGHIPEG-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.76
Rot. Bonds6

About 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid

4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 43151878) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID43151878
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCCN(S(=O)(=O)N(C)CCCC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-10-5-3-8-13(9-10)18(16,17)12(2)7-4-6-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyVONALHVKGHIPEG-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-(azepan-1-ylsulfonyl)piperidine-4-carboxylic Acid
CID 4641054
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60891179
1-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60951307
1-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60952455
1-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61605874
1-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65533847
1-[2,2-Difluoroethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 116314366

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 43151878) is 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CCCN(S(=O)(=O)N(C)CCCC(=O)O)C1.
What is the InChIKey of 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is VONALHVKGHIPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-10-5-3-8-13(9-10)18(16,17)12(2)7-4-6-11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43151878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).