3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one

C14H17NO3S — CID 134961232

IUPAC3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CSCc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C14H17NO3S/c1-11(13(16)15-7-8-18-14(15)17)9-19-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1
InChIKeyVCABWPXICZOIGE-NSHDSACASA-N
MW279.36 g/mol
LogP2.53
Rot. Bonds5

About 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one

3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 134961232) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID134961232
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CSCc1ccccc1)C(=O)N1CCOC1=O
InChIInChI=1S/C14H17NO3S/c1-11(13(16)15-7-8-18-14(15)17)9-19-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1
InChIKeyVCABWPXICZOIGE-NSHDSACASA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 134961232) is 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](CSCc1ccccc1)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VCABWPXICZOIGE-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11(13(16)15-7-8-18-14(15)17)9-19-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one?
3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-benzylsulfanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134961232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).