[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide

C8H16NO2S- — CID 58680118

IUPAC[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide
SMILESCCOC(=O)[C@H](CCSC)[N-]C
InChIInChI=1S/C8H16NO2S/c1-4-11-8(10)7(9-2)5-6-12-3/h7H,4-6H2,1-3H3/q-1/t7-/m0/s1
InChIKeyOUMUSEHHLNRUMM-ZETCQYMHSA-N
MW190.29 g/mol
LogP1.67
Rot. Bonds6

About [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide

[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide (PubChem CID 58680118) has the molecular formula C8H16NO2S- and a molecular weight of 190.29 g/mol. Its IUPAC name is [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide.

Molecular Properties

Compound Name[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide
PubChem CID58680118
Molecular FormulaC8H16NO2S-
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide
SMILESCCOC(=O)[C@H](CCSC)[N-]C
InChIInChI=1S/C8H16NO2S/c1-4-11-8(10)7(9-2)5-6-12-3/h7H,4-6H2,1-3H3/q-1/t7-/m0/s1
InChIKeyOUMUSEHHLNRUMM-ZETCQYMHSA-N
XLogP1.67
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethyl-trimethylazanium
CID 57431463
N-dimethyl-l-methionine methyl ester
CID 91978444
Propan-2-yl 4-methylsulfanyl-2-(propan-2-ylamino)butanoate
CID 589665
L-Methionine, N-(1-methylethyl)-, 1-methylethyl ester
CID 22216949
Ethyl 2-(dimethylamino)-4-methylsulfanylbutanoate
CID 239835
Ethyl 2-isocyano-4-methylsulfanylbutanoate
CID 4715301
Ethyl 2-(methylamino)-4-(methylsulfanyl)butanoate
CID 20144150
Ethyl methyl-L-methioninate
CID 54331404
(1-Methoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanide;rubidium(1+)
CID 58311475
[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methanidylazanium
CID 58680117
Ethyl 2-[chloromethyl(methoxy)amino]-4-methylsulfanylbutanoate
CID 58918453
Methyl 2-(ethylamino)-4-methylsulfanylbutanoate
CID 60693895

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide?
The IUPAC name of [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide (CID 58680118) is [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide.
What is the SMILES notation for [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide?
The canonical SMILES for [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide is CCOC(=O)[C@H](CCSC)[N-]C.
What is the InChIKey of [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide?
The InChIKey is OUMUSEHHLNRUMM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16NO2S/c1-4-11-8(10)7(9-2)5-6-12-3/h7H,4-6H2,1-3H3/q-1/t7-/m0/s1.
What are the key properties of [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide?
[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide has a molecular weight of 190.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]-methylazanide is sourced from PubChem (CID 58680118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).