(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one

C10H17NO3S — CID 59986951

IUPAC(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one
SMILESC=S(C)(=O)CC=CCN1C[C@H](C)OC1=O
InChIInChI=1S/C10H17NO3S/c1-9-8-11(10(12)14-9)6-4-5-7-15(2,3)13/h4-5,9H,2,6-8H2,1,3H3/t9-,15?/m0/s1
InChIKeyXMUUNTBOTUWJSV-HJULIUOESA-N
MW231.32 g/mol
LogP0.73
Rot. Bonds4

About (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one

(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 59986951) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one
PubChem CID59986951
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one
SMILESC=S(C)(=O)CC=CCN1C[C@H](C)OC1=O
InChIInChI=1S/C10H17NO3S/c1-9-8-11(10(12)14-9)6-4-5-7-15(2,3)13/h4-5,9H,2,6-8H2,1,3H3/t9-,15?/m0/s1
InChIKeyXMUUNTBOTUWJSV-HJULIUOESA-N
XLogP0.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-5-methyl-3-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pent-3-enyl]-1,3-oxazolidin-2-one
CID 59986935
(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one
CID 59986965
5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one
CID 142150294
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate
CID 139078118
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
ethenamine;3-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 172711491
2-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]ethyl 5-hydroxy-2-methylbenzenesulfonate
CID 87886925
(5R)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 142143749
(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 15320772
3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one
CID 19437330
[(5R)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-5-yl] 4-methylbenzenesulfonate
CID 2794013

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one (CID 59986951) is (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one is C=S(C)(=O)CC=CCN1C[C@H](C)OC1=O.
What is the InChIKey of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is XMUUNTBOTUWJSV-HJULIUOESA-N. The full InChI is InChI=1S/C10H17NO3S/c1-9-8-11(10(12)14-9)6-4-5-7-15(2,3)13/h4-5,9H,2,6-8H2,1,3H3/t9-,15?/m0/s1.
What are the key properties of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one?
(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 231.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59986951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).