6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid

C11H19NO3S — CID 2834686

IUPAC6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
SMILESCSCCC(=O)N1C(C)CCCC1C(=O)O
InChIInChI=1S/C11H19NO3S/c1-8-4-3-5-9(11(14)15)12(8)10(13)6-7-16-2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyOZALSLNPMJFRGI-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.59
Rot. Bonds4

About 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid

6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 2834686) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
PubChem CID2834686
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
SMILESCSCCC(=O)N1C(C)CCCC1C(=O)O
InChIInChI=1S/C11H19NO3S/c1-8-4-3-5-9(11(14)15)12(8)10(13)6-7-16-2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyOZALSLNPMJFRGI-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1-(3-methylsulfanylpropanoyl)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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid (CID 2834686) is 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid is CSCCC(=O)N1C(C)CCCC1C(=O)O.
What is the InChIKey of 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is OZALSLNPMJFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-8-4-3-5-9(11(14)15)12(8)10(13)6-7-16-2/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 245.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 2834686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).