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

C9H15NO3S — CID 134995112

IUPAC3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCCS[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3S/c1-3-14-7(2)6-8(11)10-4-5-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyPSSVPCUXGYHVEJ-ZETCQYMHSA-N
MW217.29 g/mol
LogP1.50
Rot. Bonds4

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

3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 134995112) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID134995112
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCCS[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3S/c1-3-14-7(2)6-8(11)10-4-5-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyPSSVPCUXGYHVEJ-ZETCQYMHSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 134995112) is 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one is CCS[C@@H](C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is PSSVPCUXGYHVEJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-14-7(2)6-8(11)10-4-5-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 217.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134995112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).