4-ethylsulfanylpyrrolidin-2-one;methanol

C7H15NO2S — CID 178028708

IUPAC4-ethylsulfanylpyrrolidin-2-one;methanol
SMILESCCSC1CNC(=O)C1.CO
InChIInChI=1S/C6H11NOS.CH4O/c1-2-9-5-3-6(8)7-4-5;1-2/h5H,2-4H2,1H3,(H,7,8);2H,1H3
InChIKeyQHINRFDTFAQGHQ-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.24
Rot. Bonds2

About 4-ethylsulfanylpyrrolidin-2-one;methanol

4-ethylsulfanylpyrrolidin-2-one;methanol (PubChem CID 178028708) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-ethylsulfanylpyrrolidin-2-one;methanol.

Molecular Properties

Compound Name4-ethylsulfanylpyrrolidin-2-one;methanol
PubChem CID178028708
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-ethylsulfanylpyrrolidin-2-one;methanol
SMILESCCSC1CNC(=O)C1.CO
InChIInChI=1S/C6H11NOS.CH4O/c1-2-9-5-3-6(8)7-4-5;1-2/h5H,2-4H2,1H3,(H,7,8);2H,1H3
InChIKeyQHINRFDTFAQGHQ-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethylsulfanylpyrrolidin-2-one;methanol 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

4-(ethyldisulfanyl)pyrrolidin-2-one
CID 167241170
S-[(3S)-5-oxopyrrolidin-3-yl] ethanethioate
CID 10534964
4-hydroxypyrrolidin-2-one;propane
CID 169229949
diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
CID 101129718
(4R)-4-[(1S)-1-hydroxypropyl]pyrrolidin-2-one
CID 66713637
(4R)-4-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 66729901
ethyl 2-[(3S)-5-oxopyrrolidin-3-yl]acetate
CID 98007144
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
3-ethylsulfanylcyclohexan-1-one
CID 11815998
(5S)-5-ethylpiperazin-2-one
CID 93005355
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylpyrrolidin-2-one;methanol?
The IUPAC name of 4-ethylsulfanylpyrrolidin-2-one;methanol (CID 178028708) is 4-ethylsulfanylpyrrolidin-2-one;methanol.
What is the SMILES notation for 4-ethylsulfanylpyrrolidin-2-one;methanol?
The canonical SMILES for 4-ethylsulfanylpyrrolidin-2-one;methanol is CCSC1CNC(=O)C1.CO.
What is the InChIKey of 4-ethylsulfanylpyrrolidin-2-one;methanol?
The InChIKey is QHINRFDTFAQGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS.CH4O/c1-2-9-5-3-6(8)7-4-5;1-2/h5H,2-4H2,1H3,(H,7,8);2H,1H3.
What are the key properties of 4-ethylsulfanylpyrrolidin-2-one;methanol?
4-ethylsulfanylpyrrolidin-2-one;methanol has a molecular weight of 177.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylpyrrolidin-2-one;methanol is sourced from PubChem (CID 178028708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).