2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid

C10H20N2O4S — CID 114807086

IUPAC2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCNS(=O)(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-7-11-17(15,16)12-8-5-4-6-10(12,2)9(13)14/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyUXTZJFWBKHFKNH-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds5

About 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid

2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 114807086) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID114807086
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCNS(=O)(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-7-11-17(15,16)12-8-5-4-6-10(12,2)9(13)14/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyUXTZJFWBKHFKNH-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(propylsulfamoyl)piperidine-2-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-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
CID 114463047
1-butylsulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595633
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
2-methyl-1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid
CID 104595563
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 82838547
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid
CID 104595573
4-methyl-4-(methylamino)-N-propylpiperidine-1-sulfonamide
CID 114811227
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595604
1-(2,6-dichlorophenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595612
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid (CID 114807086) is 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid is CCCNS(=O)(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is UXTZJFWBKHFKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-7-11-17(15,16)12-8-5-4-6-10(12,2)9(13)14/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid?
2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114807086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).