1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid

C12H24N2O4S2 — CID 115985522

IUPAC1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(CSC)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S2/c1-4-11(9-19-3)13(2)20(17,18)14-7-5-10(6-8-14)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyCRPBRIQSHVPLII-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.10
Rot. Bonds7

About 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 115985522) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID115985522
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC Name1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(CSC)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S2/c1-4-11(9-19-3)13(2)20(17,18)14-7-5-10(6-8-14)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyCRPBRIQSHVPLII-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60857965
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 130884423
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 112658011
1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60950199
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107198638
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
CID 112662788
1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid
CID 60951723
4-hydroxy-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498837
1-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60951307
N-methyl-N-pentan-3-ylpiperazine-1-sulfonamide
CID 43571296
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 115985522) is 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid is CCC(CSC)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is CRPBRIQSHVPLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-4-11(9-19-3)13(2)20(17,18)14-7-5-10(6-8-14)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 324.47 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 115985522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).