ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane

C11H23NO3S — CID 143124054

IUPACethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
SMILESCC.CCC.CSCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3S.C3H8.C2H6/c1-11-4-5(8)7-2-3-10-6(7)9;1-3-2;1-2/h2-4H2,1H3;3H2,1-2H3;1-2H3
InChIKeySEEXHMUZAJNOHK-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.77
Rot. Bonds2

About ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane

ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane (PubChem CID 143124054) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane.

Molecular Properties

Compound Nameethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
PubChem CID143124054
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Nameethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
SMILESCC.CCC.CSCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3S.C3H8.C2H6/c1-11-4-5(8)7-2-3-10-6(7)9;1-3-2;1-2/h2-4H2,1H3;3H2,1-2H3;1-2H3
InChIKeySEEXHMUZAJNOHK-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
The IUPAC name of ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane (CID 143124054) is ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane.
What is the SMILES notation for ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
The canonical SMILES for ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane is CC.CCC.CSCC(=O)N1CCOC1=O.
What is the InChIKey of ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
The InChIKey is SEEXHMUZAJNOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S.C3H8.C2H6/c1-11-4-5(8)7-2-3-10-6(7)9;1-3-2;1-2/h2-4H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane has a molecular weight of 249.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane is sourced from PubChem (CID 143124054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).