ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate

C11H23NO3S — CID 59634193

IUPACethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate
SMILESCCCCN(C)S(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C11H23NO3S/c1-6-8-9-12(5)16(14)11(3,4)10(13)15-7-2/h6-9H2,1-5H3
InChIKeyTUBYTCPQYGPJJC-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.72
Rot. Bonds7

About ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate

ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate (PubChem CID 59634193) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate
PubChem CID59634193
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate
SMILESCCCCN(C)S(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C11H23NO3S/c1-6-8-9-12(5)16(14)11(3,4)10(13)15-7-2/h6-9H2,1-5H3
InChIKeyTUBYTCPQYGPJJC-UHFFFAOYSA-N
XLogP1.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfinyl-2-methylpropanoate
CID 59267994
Ethyl 2-(3-fluoropyrrolidin-1-yl)sulfinyl-2-methylpropanoate
CID 68786433
ethyl 2-[(R)-(3-fluoropyrrolidin-1-yl)sulfinyl]-2-methylpropanoate
CID 91157109
ethyl 2-[(R)-[(3R)-3-fluoropyrrolidin-1-yl]sulfinyl]-2-methylpropanoate
CID 129391517
ethyl 2-[(S)-[(3R)-3-fluoropyrrolidin-1-yl]sulfinyl]-2-methylpropanoate
CID 129391518
2-(Azetidine-1-sulfinyl)-2-methyl-propionic acid ethyl ester
CID 59267857
Ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate
CID 59634197
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-piperidin-1-ylsulfinylpropanoate
CID 59634224
Ethyl 2-methyl-2-[methyl(propan-2-yl)sulfinamoyl]propanoate
CID 59634271
Ethyl 2-dimethylsulfinamoyl-2-methylpropanoate
CID 59634326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate (CID 59634193) is ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate is CCCCN(C)S(=O)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate?
The InChIKey is TUBYTCPQYGPJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-6-8-9-12(5)16(14)11(3,4)10(13)15-7-2/h6-9H2,1-5H3.
What are the key properties of ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate?
ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate has a molecular weight of 249.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate is sourced from PubChem (CID 59634193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).