(4S)-1-methyl-4-sulfanylpyrrolidin-2-one

C5H9NOS — CID 10534694

IUPAC(4S)-1-methyl-4-sulfanylpyrrolidin-2-one
SMILESCN1C[C@@H](S)CC1=O
InChIInChI=1S/C5H9NOS/c1-6-3-4(8)2-5(6)7/h4,8H,2-3H2,1H3/t4-/m0/s1
InChIKeyUSUNCJIMTRQGFL-BYPYZUCNSA-N
MW131.20 g/mol
LogP0.15
Rot. Bonds

About (4S)-1-methyl-4-sulfanylpyrrolidin-2-one

(4S)-1-methyl-4-sulfanylpyrrolidin-2-one (PubChem CID 10534694) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (4S)-1-methyl-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-sulfanylpyrrolidin-2-one
PubChem CID10534694
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(4S)-1-methyl-4-sulfanylpyrrolidin-2-one
SMILESCN1C[C@@H](S)CC1=O
InChIInChI=1S/C5H9NOS/c1-6-3-4(8)2-5(6)7/h4,8H,2-3H2,1H3/t4-/m0/s1
InChIKeyUSUNCJIMTRQGFL-BYPYZUCNSA-N
XLogP0.15
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
1-Propyl-pyrrolidin-2-one
CID 566544
1-(~2~H_3_)Methyl(~2~H_6_)pyrrolidin-2-one
CID 16217555
2-Pyrrolidinone, 1-(2-mercaptoethyl)-
CID 83768
1-Methyl-2-pyrrolidinone-d3
CID 71750536
N-methylthiopyrrolidin-2-one
CID 12607772
N,N-Diethyl-2-sulfanylpropanamide
CID 14302275
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
1-(2-Sulfanylethyl)pyrrolidine-2,5-dione
CID 22016357
1-methylpyrrolidin-2-(18O)one
CID 68722871
2-Methyl-1-pyrrolidin-1-yl-3-sulfanylpropan-1-one
CID 90192409

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-sulfanylpyrrolidin-2-one?
The IUPAC name of (4S)-1-methyl-4-sulfanylpyrrolidin-2-one (CID 10534694) is (4S)-1-methyl-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-sulfanylpyrrolidin-2-one is CN1C[C@@H](S)CC1=O.
What is the InChIKey of (4S)-1-methyl-4-sulfanylpyrrolidin-2-one?
The InChIKey is USUNCJIMTRQGFL-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NOS/c1-6-3-4(8)2-5(6)7/h4,8H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (4S)-1-methyl-4-sulfanylpyrrolidin-2-one?
(4S)-1-methyl-4-sulfanylpyrrolidin-2-one has a molecular weight of 131.20 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 10534694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).