methyl 2-diethylsulfinamoyl-2-methylpropanoate

C9H19NO3S — CID 12547304

IUPACmethyl 2-diethylsulfinamoyl-2-methylpropanoate
SMILESCCN(CC)S(=O)C(C)(C)C(=O)OC
InChIInChI=1S/C9H19NO3S/c1-6-10(7-2)14(12)9(3,4)8(11)13-5/h6-7H2,1-5H3
InChIKeyDQTUQWNUFFJIRN-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.94
Rot. Bonds5

About methyl 2-diethylsulfinamoyl-2-methylpropanoate

methyl 2-diethylsulfinamoyl-2-methylpropanoate (PubChem CID 12547304) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is methyl 2-diethylsulfinamoyl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-diethylsulfinamoyl-2-methylpropanoate
PubChem CID12547304
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-diethylsulfinamoyl-2-methylpropanoate
SMILESCCN(CC)S(=O)C(C)(C)C(=O)OC
InChIInChI=1S/C9H19NO3S/c1-6-10(7-2)14(12)9(3,4)8(11)13-5/h6-7H2,1-5H3
InChIKeyDQTUQWNUFFJIRN-UHFFFAOYSA-N
XLogP0.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-diethylsulfinamoyl-2-methylpropanoate?
The IUPAC name of methyl 2-diethylsulfinamoyl-2-methylpropanoate (CID 12547304) is methyl 2-diethylsulfinamoyl-2-methylpropanoate.
What is the SMILES notation for methyl 2-diethylsulfinamoyl-2-methylpropanoate?
The canonical SMILES for methyl 2-diethylsulfinamoyl-2-methylpropanoate is CCN(CC)S(=O)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-diethylsulfinamoyl-2-methylpropanoate?
The InChIKey is DQTUQWNUFFJIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-6-10(7-2)14(12)9(3,4)8(11)13-5/h6-7H2,1-5H3.
What are the key properties of methyl 2-diethylsulfinamoyl-2-methylpropanoate?
methyl 2-diethylsulfinamoyl-2-methylpropanoate has a molecular weight of 221.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diethylsulfinamoyl-2-methylpropanoate is sourced from PubChem (CID 12547304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).