(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one

C5H9NOS — CID 11815391

IUPAC(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)C[C@H]1S
InChIInChI=1S/C5H9NOS/c1-3-4(8)2-5(7)6-3/h3-4,8H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1
InChIKeyOYQNNYFLDYZDPB-QWWZWVQMSA-N
MW131.20 g/mol
LogP0.19
Rot. Bonds

About (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one

(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one (PubChem CID 11815391) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
PubChem CID11815391
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)C[C@H]1S
InChIInChI=1S/C5H9NOS/c1-3-4(8)2-5(7)6-3/h3-4,8H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1
InChIKeyOYQNNYFLDYZDPB-QWWZWVQMSA-N
XLogP0.19
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.19
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

(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
CID 143653948
(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
CID 159095548
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
2-methyl-6-sulfanyl-1,3-diazinan-4-one
CID 75088843
(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
CID 58071883
(5S,6S)-5-hydroxy-6-methylpiperidin-2-one
CID 86335302
methyl (2S,3R)-2-methyl-5-oxopyrrolidine-3-carboxylate
CID 124705892
(6S)-6-methyl-1,3-diazinane-2,4-dione
CID 6951747
3,7-dimethyl-1,4-diazepan-5-one
CID 55287243
(5S)-5-methylpyrrolidin-2-one
CID 7458701
2-methyl-6-oxopiperidine-3-carbonitrile
CID 118992971
4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
CID 106534465

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one (CID 11815391) is (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one is C[C@H]1NC(=O)C[C@H]1S.
What is the InChIKey of (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one?
The InChIKey is OYQNNYFLDYZDPB-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9NOS/c1-3-4(8)2-5(7)6-3/h3-4,8H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1.
What are the key properties of (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one?
(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one has a molecular weight of 131.20 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 11815391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).