3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C12H21NO3S — CID 103551106

IUPAC3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCSCC(C)N(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO3S/c1-8(7-17-3)13(2)11(14)9-4-5-10(6-9)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFJRZQJDWKXBAIE-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.70
Rot. Bonds5

About 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551106) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551106
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCSCC(C)N(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO3S/c1-8(7-17-3)13(2)11(14)9-4-5-10(6-9)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFJRZQJDWKXBAIE-UHFFFAOYSA-N
XLogP1.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-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

3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550328
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 112666864
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55234824
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 103833218
(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 104914638
3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550345
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551106) is 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CSCC(C)N(C)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FJRZQJDWKXBAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-8(7-17-3)13(2)11(14)9-4-5-10(6-9)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 259.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).