5-propylsulfanylpyrrolidin-2-one

C7H13NOS — CID 19868701

IUPAC5-propylsulfanylpyrrolidin-2-one
SMILESCCCSC1CCC(=O)N1
InChIInChI=1S/C7H13NOS/c1-2-5-10-7-4-3-6(9)8-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyROICGKPMHCGUIW-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.37
Rot. Bonds3

About 5-propylsulfanylpyrrolidin-2-one

5-propylsulfanylpyrrolidin-2-one (PubChem CID 19868701) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 5-propylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-propylsulfanylpyrrolidin-2-one
PubChem CID19868701
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name5-propylsulfanylpyrrolidin-2-one
SMILESCCCSC1CCC(=O)N1
InChIInChI=1S/C7H13NOS/c1-2-5-10-7-4-3-6(9)8-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyROICGKPMHCGUIW-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-propylsulfanylpyrrolidin-2-one (CID 19868701) is 5-propylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-propylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-propylsulfanylpyrrolidin-2-one is CCCSC1CCC(=O)N1.
What is the InChIKey of 5-propylsulfanylpyrrolidin-2-one?
The InChIKey is ROICGKPMHCGUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-5-10-7-4-3-6(9)8-7/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 5-propylsulfanylpyrrolidin-2-one?
5-propylsulfanylpyrrolidin-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 19868701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).