(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one

C5H7NOS — CID 142677150

IUPAC(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one
SMILESC[C@H]1NC(=O)C=C1S
InChIInChI=1S/C5H7NOS/c1-3-4(8)2-5(7)6-3/h2-3,8H,1H3,(H,6,7)/t3-/m1/s1
InChIKeyGMXLLKKGAYOMDK-GSVOUGTGSA-N
MW129.18 g/mol
LogP0.32
Rot. Bonds

About (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one

(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one (PubChem CID 142677150) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one
PubChem CID142677150
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one
SMILESC[C@H]1NC(=O)C=C1S
InChIInChI=1S/C5H7NOS/c1-3-4(8)2-5(7)6-3/h2-3,8H,1H3,(H,6,7)/t3-/m1/s1
InChIKeyGMXLLKKGAYOMDK-GSVOUGTGSA-N
XLogP0.32
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one
CID 10909584
(2R)-6-amino-2-methylsulfanyl-2,3-dihydro-1H-pyrimidin-4-one
CID 124651499
4-methylazetidine-2,3-dione
CID 141376893
methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate
CID 143316032
(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
(2R)-2-hydroxy-3-methyl-1,2-dihydropyrrol-5-one
CID 162893056
2,6-dimethyl-5-sulfanylcyclohexa-2,4-dien-1-one
CID 174642720
3-(4-bromocyclohexa-2,4-dien-1-yl)-2-methyl-1,2-dihydropyrrol-5-one
CID 143515008
4,6-dimethylpyran-2,5-dione
CID 142846765
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one
CID 135265082
3-ethyl-2,4,6-trimethyl-1,2-dihydropyridine
CID 126746027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one (CID 142677150) is (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one is C[C@H]1NC(=O)C=C1S.
What is the InChIKey of (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one?
The InChIKey is GMXLLKKGAYOMDK-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7NOS/c1-3-4(8)2-5(7)6-3/h2-3,8H,1H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one?
(2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one has a molecular weight of 129.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-sulfanyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 142677150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).