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

C10H19NO3S — CID 59986965

IUPAC(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one
SMILESC=S(C)(=O)CCCCN1C[C@H](C)OC1=O
InChIInChI=1S/C10H19NO3S/c1-9-8-11(10(12)14-9)6-4-5-7-15(2,3)13/h9H,2,4-8H2,1,3H3/t9-,15?/m0/s1
InChIKeyITKYTEOZLYMNQG-HJULIUOESA-N
MW233.33 g/mol
LogP0.95
Rot. Bonds5

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

(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one (PubChem CID 59986965) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one
PubChem CID59986965
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one
SMILESC=S(C)(=O)CCCCN1C[C@H](C)OC1=O
InChIInChI=1S/C10H19NO3S/c1-9-8-11(10(12)14-9)6-4-5-7-15(2,3)13/h9H,2,4-8H2,1,3H3/t9-,15?/m0/s1
InChIKeyITKYTEOZLYMNQG-HJULIUOESA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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)but-2-enyl]-1,3-oxazolidin-2-one
CID 59986951
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
2-[(5S)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]ethyl 5-hydroxy-2-methylbenzenesulfonate
CID 87886925
azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate
CID 139078118
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
CID 9248889
6-chloro-2-methyl-4-(3-methylsulfonylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 71988639
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173617
6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010734

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one (CID 59986965) is (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one is C=S(C)(=O)CCCCN1C[C@H](C)OC1=O.
What is the InChIKey of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one?
The InChIKey is ITKYTEOZLYMNQG-HJULIUOESA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9-8-11(10(12)14-9)6-4-5-7-15(2,3)13/h9H,2,4-8H2,1,3H3/t9-,15?/m0/s1.
What are the key properties of (5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one?
(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one has a molecular weight of 233.33 g/mol, XLogP of 0.95, 5 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)butyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59986965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).