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

C10H17NO3S — CID 56595100

IUPAC3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)S[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3S/c1-7(2)15-8(3)6-9(12)11-4-5-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyHGRSVJQLWLZTFV-QMMMGPOBSA-N
MW231.32 g/mol
LogP1.89
Rot. Bonds4

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

3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 56595100) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID56595100
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)S[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3S/c1-7(2)15-8(3)6-9(12)11-4-5-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyHGRSVJQLWLZTFV-QMMMGPOBSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 56595100) is 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one is CC(C)S[C@@H](C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HGRSVJQLWLZTFV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(2)15-8(3)6-9(12)11-4-5-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 231.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-propan-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56595100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).