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

C10H19NO2S — CID 126671046

IUPAC5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)SC1CC(O)N(C(C)C)C1=O
InChIInChI=1S/C10H19NO2S/c1-6(2)11-9(12)5-8(10(11)13)14-7(3)4/h6-9,12H,5H2,1-4H3
InChIKeyBLZIIHHJEXBUDD-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.46
Rot. Bonds3

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

5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (PubChem CID 126671046) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
PubChem CID126671046
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)SC1CC(O)N(C(C)C)C1=O
InChIInChI=1S/C10H19NO2S/c1-6(2)11-9(12)5-8(10(11)13)14-7(3)4/h6-9,12H,5H2,1-4H3
InChIKeyBLZIIHHJEXBUDD-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (CID 126671046) is 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is CC(C)SC1CC(O)N(C(C)C)C1=O.
What is the InChIKey of 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The InChIKey is BLZIIHHJEXBUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-6(2)11-9(12)5-8(10(11)13)14-7(3)4/h6-9,12H,5H2,1-4H3.
What are the key properties of 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one has a molecular weight of 217.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 126671046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).