ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate

C11H21NO4S — CID 59634342

IUPACethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO4S/c1-4-16-10(13)11(2,3)17(14)12-9-5-7-15-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyVIWOFBRBFZICSF-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.76
Rot. Bonds5

About ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate

ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate (PubChem CID 59634342) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate
PubChem CID59634342
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO4S/c1-4-16-10(13)11(2,3)17(14)12-9-5-7-15-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyVIWOFBRBFZICSF-UHFFFAOYSA-N
XLogP0.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate (CID 59634342) is ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate is CCOC(=O)C(C)(C)S(=O)NC1CCOCC1.
What is the InChIKey of ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate?
The InChIKey is VIWOFBRBFZICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-4-16-10(13)11(2,3)17(14)12-9-5-7-15-8-6-9/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate?
ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate has a molecular weight of 263.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(oxan-4-ylsulfinamoyl)propanoate is sourced from PubChem (CID 59634342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).