ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one

C11H25NO2S — CID 144590168

IUPACethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCC.CC.COC1CC(SC)C(=O)N1C
InChIInChI=1S/C7H13NO2S.2C2H6/c1-8-6(10-2)4-5(11-3)7(8)9;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3
InChIKeyXSCNCLYKEDJPAG-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.61
Rot. Bonds2

About ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one

ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one (PubChem CID 144590168) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
PubChem CID144590168
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Nameethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCC.CC.COC1CC(SC)C(=O)N1C
InChIInChI=1S/C7H13NO2S.2C2H6/c1-8-6(10-2)4-5(11-3)7(8)9;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3
InChIKeyXSCNCLYKEDJPAG-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one
CID 118287894
[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid
CID 167104505
(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
CID 10877260
1-chloro-3-methylsulfanylpyrrolidine-2,5-dione
CID 142806162
ethane;1-methyl-3-(methyldisulfanyl)pyrrolidine-2,5-dione
CID 176950350
1-(2-ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
ethane;1-heptyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 142573296
(3S)-3-methylsulfanylthiolan-2-one
CID 138638634
(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 122532298
1-butyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 58493179
1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 59378711
methanethiol;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 160581032

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one (CID 144590168) is ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one is CC.CC.COC1CC(SC)C(=O)N1C.
What is the InChIKey of ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is XSCNCLYKEDJPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.2C2H6/c1-8-6(10-2)4-5(11-3)7(8)9;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3.
What are the key properties of ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 235.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 144590168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).