ethyl 2-ethylsulfinamoyl-2-methylpropanoate

C8H17NO3S — CID 59634288

IUPACethyl 2-ethylsulfinamoyl-2-methylpropanoate
SMILESCCNS(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C8H17NO3S/c1-5-9-13(11)8(3,4)7(10)12-6-2/h9H,5-6H2,1-4H3
InChIKeyLSMDUQFHYFVZIV-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.60
Rot. Bonds5

About ethyl 2-ethylsulfinamoyl-2-methylpropanoate

ethyl 2-ethylsulfinamoyl-2-methylpropanoate (PubChem CID 59634288) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is ethyl 2-ethylsulfinamoyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-ethylsulfinamoyl-2-methylpropanoate
PubChem CID59634288
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-ethylsulfinamoyl-2-methylpropanoate
SMILESCCNS(=O)C(C)(C)C(=O)OCC
InChIInChI=1S/C8H17NO3S/c1-5-9-13(11)8(3,4)7(10)12-6-2/h9H,5-6H2,1-4H3
InChIKeyLSMDUQFHYFVZIV-UHFFFAOYSA-N
XLogP0.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-propylsulfinamoylpropanoate
CID 59634327
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-(benzenesulfinyl)-2-methylpropanoate
CID 14906951
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl 2-methyl-2-sulfinooxypropanoate
CID 118684426
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2-[(R)-tert-butylsulfinyl]-2,2-difluoroacetate
CID 99982901
ethyl 2,2-bis(sulfanylmethyl)butanoate
CID 87450503
ethyl (2S)-2-bromo-2-methyl-3-oxobutanoate
CID 101364312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylsulfinamoyl-2-methylpropanoate?
The IUPAC name of ethyl 2-ethylsulfinamoyl-2-methylpropanoate (CID 59634288) is ethyl 2-ethylsulfinamoyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-ethylsulfinamoyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-ethylsulfinamoyl-2-methylpropanoate is CCNS(=O)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2-ethylsulfinamoyl-2-methylpropanoate?
The InChIKey is LSMDUQFHYFVZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-5-9-13(11)8(3,4)7(10)12-6-2/h9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-ethylsulfinamoyl-2-methylpropanoate?
ethyl 2-ethylsulfinamoyl-2-methylpropanoate has a molecular weight of 207.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylsulfinamoyl-2-methylpropanoate is sourced from PubChem (CID 59634288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).