4-acetylthiomorpholin-3-one

C6H9NO2S — CID 173081761

IUPAC4-acetylthiomorpholin-3-one
SMILESCC(=O)N1CCSCC1=O
InChIInChI=1S/C6H9NO2S/c1-5(8)7-2-3-10-4-6(7)9/h2-4H2,1H3
InChIKeyFARGMRZKMRIOCG-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.11
Rot. Bonds

About 4-acetylthiomorpholin-3-one

4-acetylthiomorpholin-3-one (PubChem CID 173081761) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-acetylthiomorpholin-3-one.

Molecular Properties

Compound Name4-acetylthiomorpholin-3-one
PubChem CID173081761
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name4-acetylthiomorpholin-3-one
SMILESCC(=O)N1CCSCC1=O
InChIInChI=1S/C6H9NO2S/c1-5(8)7-2-3-10-4-6(7)9/h2-4H2,1H3
InChIKeyFARGMRZKMRIOCG-UHFFFAOYSA-N
XLogP0.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxybutanoyl)thiomorpholin-3-one
CID 57084892
2-(3-oxothiomorpholin-4-yl)acetic acid
CID 13245541
1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone
CID 58322130
1,4-diacetylpiperazin-2-one
CID 45099917
1-acetylazonan-2-one
CID 19035113
ethane;4-propan-2-ylthiomorpholin-3-one
CID 143160697
1-acetylazepan-2-one;methane
CID 158348937
1,3-diacetyl-1,3-diazinane-2,4-dione
CID 54212586
4-propylthiomorpholin-3-one
CID 56979350
1-acetyl-3,3-dimethylpyrrolidin-2-one
CID 175236752
4-phenylthiomorpholin-3-one
CID 70476130
3-methyl-2-(2-oxoazetidin-1-yl)but-2-enoic acid
CID 23331293

Frequently Asked Questions

What is the IUPAC name of 4-acetylthiomorpholin-3-one?
The IUPAC name of 4-acetylthiomorpholin-3-one (CID 173081761) is 4-acetylthiomorpholin-3-one.
What is the SMILES notation for 4-acetylthiomorpholin-3-one?
The canonical SMILES for 4-acetylthiomorpholin-3-one is CC(=O)N1CCSCC1=O.
What is the InChIKey of 4-acetylthiomorpholin-3-one?
The InChIKey is FARGMRZKMRIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-5(8)7-2-3-10-4-6(7)9/h2-4H2,1H3.
What are the key properties of 4-acetylthiomorpholin-3-one?
4-acetylthiomorpholin-3-one has a molecular weight of 159.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylthiomorpholin-3-one is sourced from PubChem (CID 173081761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).