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

C14H17NO4S — CID 15177614

IUPAC(4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@H](CC)OC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO4S/c1-4-12-13(5-2)19-14(16)15(12)20(17,18)11-8-6-10(3)7-9-11/h4,6-9,12-13H,1,5H2,2-3H3/t12-,13-/m0/s1
InChIKeyZGBAJOGZQVZKQH-STQMWFEESA-N
MW295.36 g/mol
LogP2.47
Rot. Bonds4

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

(4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 15177614) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID15177614
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name(4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@H](CC)OC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO4S/c1-4-12-13(5-2)19-14(16)15(12)20(17,18)11-8-6-10(3)7-9-11/h4,6-9,12-13H,1,5H2,2-3H3/t12-,13-/m0/s1
InChIKeyZGBAJOGZQVZKQH-STQMWFEESA-N
XLogP2.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

(4S,5S)-4-ethenyl-3-(4-methylphenyl)sulfonyl-5-propyl-1,3-oxazolidin-2-one
CID 15177618
(4R,5S)-5-tert-butyl-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 15177624
5-benzyl-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-one
CID 85109223
(4R,5R)-3-(4-methylphenyl)sulfonyl-2-oxo-5-pentyl-1,3-oxazolidine-4-carboxylic acid
CID 101220479
(5S)-5-but-3-enyl-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 134600463
(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one
CID 11265602
(4S,5S)-5-ethenyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylsulfanylethyl)imidazolidin-2-one
CID 102332795
(3aS,7aR)-3-(4-methylphenyl)sulfonyl-3a,6,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11098356
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
(4S,6R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-6-[4-tri(propan-2-yl)silylbut-3-ynyl]-1,3-oxazinan-2-one
CID 146169071
(3aR,6aR)-3-(4-methylphenyl)sulfonyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 102263590
(3aR,8aS)-3-(4-methylphenyl)sulfonyl-6,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]oxazol-2-one
CID 101064112

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 15177614) is (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=C[C@H]1[C@H](CC)OC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is ZGBAJOGZQVZKQH-STQMWFEESA-N. The full InChI is InChI=1S/C14H17NO4S/c1-4-12-13(5-2)19-14(16)15(12)20(17,18)11-8-6-10(3)7-9-11/h4,6-9,12-13H,1,5H2,2-3H3/t12-,13-/m0/s1.
What are the key properties of (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
(4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15177614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).