5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one

C11H21NO2S — CID 154623399

IUPAC5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCOC1CC(SC(C)C)C(=O)N1C(C)C
InChIInChI=1S/C11H21NO2S/c1-7(2)12-10(14-5)6-9(11(12)13)15-8(3)4/h7-10H,6H2,1-5H3
InChIKeyJXWPLPAVNSKCAS-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.11
Rot. Bonds4

About 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one

5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (PubChem CID 154623399) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
PubChem CID154623399
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCOC1CC(SC(C)C)C(=O)N1C(C)C
InChIInChI=1S/C11H21NO2S/c1-7(2)12-10(14-5)6-9(11(12)13)15-8(3)4/h7-10H,6H2,1-5H3
InChIKeyJXWPLPAVNSKCAS-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (CID 154623399) is 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is COC1CC(SC(C)C)C(=O)N1C(C)C.
What is the InChIKey of 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The InChIKey is JXWPLPAVNSKCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-7(2)12-10(14-5)6-9(11(12)13)15-8(3)4/h7-10H,6H2,1-5H3.
What are the key properties of 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one has a molecular weight of 231.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 154623399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).