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

C11H21NOS — CID 129157172

IUPAC5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)SC1CC(C)N(C(C)C)C1=O
InChIInChI=1S/C11H21NOS/c1-7(2)12-9(5)6-10(11(12)13)14-8(3)4/h7-10H,6H2,1-5H3
InChIKeySJUSZLFPUVIXDF-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.53
Rot. Bonds3

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

5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (PubChem CID 129157172) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
PubChem CID129157172
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)SC1CC(C)N(C(C)C)C1=O
InChIInChI=1S/C11H21NOS/c1-7(2)12-9(5)6-10(11(12)13)14-8(3)4/h7-10H,6H2,1-5H3
InChIKeySJUSZLFPUVIXDF-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (CID 129157172) is 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is CC(C)SC1CC(C)N(C(C)C)C1=O.
What is the InChIKey of 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The InChIKey is SJUSZLFPUVIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-7(2)12-9(5)6-10(11(12)13)14-8(3)4/h7-10H,6H2,1-5H3.
What are the key properties of 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one has a molecular weight of 215.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 129157172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).