3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one

C10H19NO2S — CID 118287894

IUPAC3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one
SMILESCOC1CC(SC(C)(C)C)C(=O)N1C
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14-7-6-8(13-5)11(4)9(7)12/h7-8H,6H2,1-5H3
InChIKeyLKIVVFMAPIOHJV-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.72
Rot. Bonds2

About 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one

3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one (PubChem CID 118287894) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one
PubChem CID118287894
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one
SMILESCOC1CC(SC(C)(C)C)C(=O)N1C
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14-7-6-8(13-5)11(4)9(7)12/h7-8H,6H2,1-5H3
InChIKeyLKIVVFMAPIOHJV-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
CID 144590168
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3-tert-butylsulfanyl-1-[2-(2,2-dimethylpropoxy)ethyl]pyrrolidine-2,5-dione
CID 160881592
3-tert-butylsulfanyl-1-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
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[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid
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3-tert-butyl-5-methoxy-1-methylpyrazolidine
CID 176832828
4,6-dimethoxy-1,3-dimethyl-1,3-diazinan-2-amine
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4-(3-tert-butylsulfanyl-2-methylidene-5-oxopyrrolidin-1-yl)-1,2,2-trimethylpyrrolidin-3-one
CID 167086507
(3S,5R)-3,5-dimethoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 132536406
3-tert-butylsulfanyl-1-methylazetidine
CID 59522762
3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one (CID 118287894) is 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one is COC1CC(SC(C)(C)C)C(=O)N1C.
What is the InChIKey of 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one?
The InChIKey is LKIVVFMAPIOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,3)14-7-6-8(13-5)11(4)9(7)12/h7-8H,6H2,1-5H3.
What are the key properties of 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one?
3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one has a molecular weight of 217.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 118287894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).