(5S)-5-methylthiomorpholin-3-one

C5H9NOS — CID 15738021

IUPAC(5S)-5-methylthiomorpholin-3-one
SMILESC[C@H]1CSCC(=O)N1
InChIInChI=1S/C5H9NOS/c1-4-2-8-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyYKMWFCOHFQMQQT-BYPYZUCNSA-N
MW131.20 g/mol
LogP0.24
Rot. Bonds

About (5S)-5-methylthiomorpholin-3-one

(5S)-5-methylthiomorpholin-3-one (PubChem CID 15738021) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (5S)-5-methylthiomorpholin-3-one.

Molecular Properties

Compound Name(5S)-5-methylthiomorpholin-3-one
PubChem CID15738021
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(5S)-5-methylthiomorpholin-3-one
SMILESC[C@H]1CSCC(=O)N1
InChIInChI=1S/C5H9NOS/c1-4-2-8-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyYKMWFCOHFQMQQT-BYPYZUCNSA-N
XLogP0.24
TPSA29.10 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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-methylthiomorpholin-3-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

1,4-Tetrahydrothiazine-3-one
CID 88402
2,2-Dimethyl-3-thiomorpholinone
CID 95098
3-Thiomorpholinone, 2-methyl-
CID 95528
3-Thiomorpholinone, 2,2,5-trimethyl-
CID 95533
2,5-Dimethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95534
2,5-Diethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95529
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CID 95532
3-(methylsulfanyl)-N-(propan-2-yl)propanamide
CID 21304893
(5R)-5-methylthiomorpholin-3-one
CID 145874668
N-tetrahydrothiophen-3-ylacetamide
CID 504551
S-(3-(Acetylamino)propyl) ethanethioate
CID 53997947
N-(thian-4-yl)acetamide
CID 58356101

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methylthiomorpholin-3-one?
The IUPAC name of (5S)-5-methylthiomorpholin-3-one (CID 15738021) is (5S)-5-methylthiomorpholin-3-one.
What is the SMILES notation for (5S)-5-methylthiomorpholin-3-one?
The canonical SMILES for (5S)-5-methylthiomorpholin-3-one is C[C@H]1CSCC(=O)N1.
What is the InChIKey of (5S)-5-methylthiomorpholin-3-one?
The InChIKey is YKMWFCOHFQMQQT-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NOS/c1-4-2-8-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1.
What are the key properties of (5S)-5-methylthiomorpholin-3-one?
(5S)-5-methylthiomorpholin-3-one has a molecular weight of 131.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylthiomorpholin-3-one is sourced from PubChem (CID 15738021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).