3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one

C10H15NO3S — CID 122382981

IUPAC3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC=CCS[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3S/c1-3-6-15-8(2)7-9(12)11-4-5-14-10(11)13/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeySHRVEGDMDCGIGB-QMMMGPOBSA-N
MW229.30 g/mol
LogP1.66
Rot. Bonds5

About 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 122382981) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID122382981
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESC=CCS[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3S/c1-3-6-15-8(2)7-9(12)11-4-5-14-10(11)13/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeySHRVEGDMDCGIGB-QMMMGPOBSA-N
XLogP1.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-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

3-(3-Prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 101142782
3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 134995112
3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 164683865
3-(4-Prop-2-enylsulfanylpentyl)-1,3-oxazolidin-2-one
CID 69668425
3-Methylsulfanyl-1-(2-prop-1-enoxyethyl)pyrrolidine-2,5-dione
CID 89696233
3-(3-Butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-[(3S)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 16742271
3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 56595100

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 122382981) is 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one is C=CCS[C@@H](C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is SHRVEGDMDCGIGB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-6-15-8(2)7-9(12)11-4-5-14-10(11)13/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 229.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-prop-2-enylsulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122382981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).