2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one

C11H17NO2S — CID 134094823

IUPAC2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one
SMILESCC1(C)C(=O)ON(C2CCCCC2)C1=S
InChIInChI=1S/C11H17NO2S/c1-11(2)9(15)12(14-10(11)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyWVAQJILARBCZOK-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.45
Rot. Bonds1

About 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one

2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one (PubChem CID 134094823) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one
PubChem CID134094823
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one
SMILESCC1(C)C(=O)ON(C2CCCCC2)C1=S
InChIInChI=1S/C11H17NO2S/c1-11(2)9(15)12(14-10(11)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyWVAQJILARBCZOK-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one?
The IUPAC name of 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one (CID 134094823) is 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one.
What is the SMILES notation for 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one?
The canonical SMILES for 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one is CC1(C)C(=O)ON(C2CCCCC2)C1=S.
What is the InChIKey of 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one?
The InChIKey is WVAQJILARBCZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2)9(15)12(14-10(11)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one?
2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one has a molecular weight of 227.33 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,4-dimethyl-3-sulfanylidene-1,2-oxazolidin-5-one is sourced from PubChem (CID 134094823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).