ethyl 2-dimethylsulfinamoyl-2-methylpropanoate

C8H17NO3S — CID 59634326

IUPACethyl 2-dimethylsulfinamoyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N(C)C
InChIInChI=1S/C8H17NO3S/c1-6-12-7(10)8(2,3)13(11)9(4)5/h6H2,1-5H3
InChIKeyAFKPUDHVTWIAOV-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.55
Rot. Bonds4

About ethyl 2-dimethylsulfinamoyl-2-methylpropanoate

ethyl 2-dimethylsulfinamoyl-2-methylpropanoate (PubChem CID 59634326) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is ethyl 2-dimethylsulfinamoyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-dimethylsulfinamoyl-2-methylpropanoate
PubChem CID59634326
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-dimethylsulfinamoyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N(C)C
InChIInChI=1S/C8H17NO3S/c1-6-12-7(10)8(2,3)13(11)9(4)5/h6H2,1-5H3
InChIKeyAFKPUDHVTWIAOV-UHFFFAOYSA-N
XLogP0.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-dimethylsulfinamoyl-2-methylpropanoate?
The IUPAC name of ethyl 2-dimethylsulfinamoyl-2-methylpropanoate (CID 59634326) is ethyl 2-dimethylsulfinamoyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-dimethylsulfinamoyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-dimethylsulfinamoyl-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)N(C)C.
What is the InChIKey of ethyl 2-dimethylsulfinamoyl-2-methylpropanoate?
The InChIKey is AFKPUDHVTWIAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6-12-7(10)8(2,3)13(11)9(4)5/h6H2,1-5H3.
What are the key properties of ethyl 2-dimethylsulfinamoyl-2-methylpropanoate?
ethyl 2-dimethylsulfinamoyl-2-methylpropanoate has a molecular weight of 207.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-dimethylsulfinamoyl-2-methylpropanoate is sourced from PubChem (CID 59634326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).