1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one

C10H19NOS — CID 67807528

IUPAC1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)SC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C10H19NOS/c1-7(2)11-6-9(5-10(11)12)13-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyUXSVOXDHVMOHGT-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.14
Rot. Bonds3

About 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one

1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one (PubChem CID 67807528) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one
PubChem CID67807528
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)SC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C10H19NOS/c1-7(2)11-6-9(5-10(11)12)13-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyUXSVOXDHVMOHGT-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one (CID 67807528) is 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one is CC(C)SC1CC(=O)N(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one?
The InChIKey is UXSVOXDHVMOHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-7(2)11-6-9(5-10(11)12)13-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one?
1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one has a molecular weight of 201.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 67807528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).