5-methyl-4-sulfanylidenepyrrolidin-2-one

C5H7NOS — CID 137473212

IUPAC5-methyl-4-sulfanylidenepyrrolidin-2-one
SMILESCC1NC(=O)CC1=S
InChIInChI=1S/C5H7NOS/c1-3-4(8)2-5(7)6-3/h3H,2H2,1H3,(H,6,7)
InChIKeyRALCNCVKTQMSAD-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.26
Rot. Bonds

About 5-methyl-4-sulfanylidenepyrrolidin-2-one

5-methyl-4-sulfanylidenepyrrolidin-2-one (PubChem CID 137473212) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 5-methyl-4-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-sulfanylidenepyrrolidin-2-one
PubChem CID137473212
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name5-methyl-4-sulfanylidenepyrrolidin-2-one
SMILESCC1NC(=O)CC1=S
InChIInChI=1S/C5H7NOS/c1-3-4(8)2-5(7)6-3/h3H,2H2,1H3,(H,6,7)
InChIKeyRALCNCVKTQMSAD-UHFFFAOYSA-N
XLogP0.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-methylpyrrolidine-2,4-dithione
CID 137473196
(5R)-5-methylpyrrolidine-2,4-dione
CID 98474157
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
6-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 3431792
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one
CID 45086589
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
(5S)-5-methylpyrrolidin-2-one
CID 7458701
5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)
CID 143227751
(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione
CID 170050689
(7S)-4-methoxy-7-methylazepane-2,5,6-trione
CID 57123881

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 5-methyl-4-sulfanylidenepyrrolidin-2-one (CID 137473212) is 5-methyl-4-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 5-methyl-4-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 5-methyl-4-sulfanylidenepyrrolidin-2-one is CC1NC(=O)CC1=S.
What is the InChIKey of 5-methyl-4-sulfanylidenepyrrolidin-2-one?
The InChIKey is RALCNCVKTQMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-3-4(8)2-5(7)6-3/h3H,2H2,1H3,(H,6,7).
What are the key properties of 5-methyl-4-sulfanylidenepyrrolidin-2-one?
5-methyl-4-sulfanylidenepyrrolidin-2-one has a molecular weight of 129.18 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 137473212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).