1-[(methyldisulfanyl)methyl]pyrrolidin-2-one

C6H11NOS2 — CID 166715430

IUPAC1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
SMILESCSSCN1CCCC1=O
InChIInChI=1S/C6H11NOS2/c1-9-10-5-7-4-2-3-6(7)8/h2-5H2,1H3
InChIKeyFRSPPCOIWXXMBN-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.58
Rot. Bonds3

About 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one

1-[(methyldisulfanyl)methyl]pyrrolidin-2-one (PubChem CID 166715430) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
PubChem CID166715430
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Name1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
SMILESCSSCN1CCCC1=O
InChIInChI=1S/C6H11NOS2/c1-9-10-5-7-4-2-3-6(7)8/h2-5H2,1H3
InChIKeyFRSPPCOIWXXMBN-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one 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

1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 3038567
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
CID 141325975
1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
CID 14553076

Frequently Asked Questions

What is the IUPAC name of 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one (CID 166715430) is 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one is CSSCN1CCCC1=O.
What is the InChIKey of 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one?
The InChIKey is FRSPPCOIWXXMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-9-10-5-7-4-2-3-6(7)8/h2-5H2,1H3.
What are the key properties of 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one?
1-[(methyldisulfanyl)methyl]pyrrolidin-2-one has a molecular weight of 177.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(methyldisulfanyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 166715430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).