(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

C14H17NO4S — CID 11323890

IUPAC(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C14H17NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h5-9,12H,1H2,2-4H3/t12-/m0/s1
InChIKeyLBWFAKDIJNCTNW-LBPRGKRZSA-N
MW295.36 g/mol
LogP2.47
Rot. Bonds3

About (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 11323890) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID11323890
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C14H17NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h5-9,12H,1H2,2-4H3/t12-/m0/s1
InChIKeyLBWFAKDIJNCTNW-LBPRGKRZSA-N
XLogP2.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 11323890) is (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=C[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C.
What is the InChIKey of (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is LBWFAKDIJNCTNW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h5-9,12H,1H2,2-4H3/t12-/m0/s1.
What are the key properties of (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11323890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).