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

C15H19NO4S — CID 101390754

IUPAC(4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C
InChIInChI=1S/C15H19NO4S/c1-5-13-14(10(2)3)16(15(17)20-13)21(18,19)12-8-6-11(4)7-9-12/h5-10,13-14H,1H2,2-4H3/t13?,14-/m0/s1
InChIKeyJBCDRYXRQQPPNY-KZUDCZAMSA-N
MW309.39 g/mol
LogP2.72
Rot. Bonds4

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

(4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101390754) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101390754
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name(4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C
InChIInChI=1S/C15H19NO4S/c1-5-13-14(10(2)3)16(15(17)20-13)21(18,19)12-8-6-11(4)7-9-12/h5-10,13-14H,1H2,2-4H3/t13?,14-/m0/s1
InChIKeyJBCDRYXRQQPPNY-KZUDCZAMSA-N
XLogP2.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.72
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)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101390754) is (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C.
What is the InChIKey of (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is JBCDRYXRQQPPNY-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-5-13-14(10(2)3)16(15(17)20-13)21(18,19)12-8-6-11(4)7-9-12/h5-10,13-14H,1H2,2-4H3/t13?,14-/m0/s1.
What are the key properties of (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 309.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-ethenyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101390754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).