(3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene

C11H20OS — CID 162420482

IUPAC(3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene
SMILESCOCCSCC[C@@]1(C)C=CCC1
InChIInChI=1S/C11H20OS/c1-11(5-3-4-6-11)7-9-13-10-8-12-2/h3,5H,4,6-10H2,1-2H3/t11-/m0/s1
InChIKeyMMFDSPNWFMGUTL-NSHDSACASA-N
MW200.35 g/mol
LogP3.11
Rot. Bonds6

About (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene

(3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene (PubChem CID 162420482) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene.

Molecular Properties

Compound Name(3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene
PubChem CID162420482
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene
SMILESCOCCSCC[C@@]1(C)C=CCC1
InChIInChI=1S/C11H20OS/c1-11(5-3-4-6-11)7-9-13-10-8-12-2/h3,5H,4,6-10H2,1-2H3/t11-/m0/s1
InChIKeyMMFDSPNWFMGUTL-NSHDSACASA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene 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 (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene?
The IUPAC name of (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene (CID 162420482) is (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene.
What is the SMILES notation for (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene?
The canonical SMILES for (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene is COCCSCC[C@@]1(C)C=CCC1.
What is the InChIKey of (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene?
The InChIKey is MMFDSPNWFMGUTL-NSHDSACASA-N. The full InChI is InChI=1S/C11H20OS/c1-11(5-3-4-6-11)7-9-13-10-8-12-2/h3,5H,4,6-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene?
(3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene has a molecular weight of 200.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclopentene is sourced from PubChem (CID 162420482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).