ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate

C10H21NO3S — CID 59634271

IUPACethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate
SMILESCCOC(=O)C(C)(C)S(=O)N(C)C(C)C
InChIInChI=1S/C10H21NO3S/c1-7-14-9(12)10(4,5)15(13)11(6)8(2)3/h8H,7H2,1-6H3
InChIKeyFESPPXXKSRYRKX-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.33
Rot. Bonds5

About ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate

ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate (PubChem CID 59634271) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate
PubChem CID59634271
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate
SMILESCCOC(=O)C(C)(C)S(=O)N(C)C(C)C
InChIInChI=1S/C10H21NO3S/c1-7-14-9(12)10(4,5)15(13)11(6)8(2)3/h8H,7H2,1-6H3
InChIKeyFESPPXXKSRYRKX-UHFFFAOYSA-N
XLogP1.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Azetidine-1-sulfinyl)-2-methyl-propionic acid ethyl ester
CID 59267857
Ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate
CID 59634193
Ethyl 2-methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoate
CID 59634203
Ethyl 2-[butyl(methyl)sulfamoyl]-2-methylpropanoate
CID 59634219
Ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate
CID 59634266
Ethyl 2-dimethylsulfinamoyl-2-methylpropanoate
CID 59634326
Ethyl 2-methyl-2-[methyl(propan-2-yl)amino]sulfanylpropanoate
CID 143803368
Ethane;ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate
CID 143964741
Ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride
CID 158900530
Methyl 2-diethylsulfinamoyl-2-methylpropanoate
CID 12547304

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate (CID 59634271) is ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate is CCOC(=O)C(C)(C)S(=O)N(C)C(C)C.
What is the InChIKey of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate?
The InChIKey is FESPPXXKSRYRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-7-14-9(12)10(4,5)15(13)11(6)8(2)3/h8H,7H2,1-6H3.
What are the key properties of ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate?
ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate has a molecular weight of 235.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate is sourced from PubChem (CID 59634271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).