3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one

C10H19NO2S — CID 155453403

IUPAC3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one
SMILESCCSC1CC(OC)N(C(C)C)C1=O
InChIInChI=1S/C10H19NO2S/c1-5-14-8-6-9(13-4)11(7(2)3)10(8)12/h7-9H,5-6H2,1-4H3
InChIKeyNVPQIRCGYFOKQG-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.72
Rot. Bonds4

About 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one

3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one (PubChem CID 155453403) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one
PubChem CID155453403
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one
SMILESCCSC1CC(OC)N(C(C)C)C1=O
InChIInChI=1S/C10H19NO2S/c1-5-14-8-6-9(13-4)11(7(2)3)10(8)12/h7-9H,5-6H2,1-4H3
InChIKeyNVPQIRCGYFOKQG-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one (CID 155453403) is 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one is CCSC1CC(OC)N(C(C)C)C1=O.
What is the InChIKey of 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is NVPQIRCGYFOKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-14-8-6-9(13-4)11(7(2)3)10(8)12/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 217.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 155453403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).