(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid

C10H17NO3S — CID 28778059

IUPAC(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
SMILESCSCCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO3S/c1-15-7-5-9(12)11-6-3-2-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyVBYOPBHMDKLRIM-QMMMGPOBSA-N
MW231.32 g/mol
LogP1.21
Rot. Bonds4

About (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid

(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 28778059) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
PubChem CID28778059
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
SMILESCSCCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO3S/c1-15-7-5-9(12)11-6-3-2-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyVBYOPBHMDKLRIM-QMMMGPOBSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-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

Related Compounds

(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
4-ethyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 114427038
1-decanoylazepane-2-carboxylic acid
CID 64558604
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 119175892
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2S)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-2-carboxylic acid
CID 66263006
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid (CID 28778059) is (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid is CSCCC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is VBYOPBHMDKLRIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-15-7-5-9(12)11-6-3-2-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid?
(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 28778059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).