1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one

C7H13NOS — CID 126718947

IUPAC1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one
SMILESCSC1(C)CCC(=O)N1C
InChIInChI=1S/C7H13NOS/c1-7(10-3)5-4-6(9)8(7)2/h4-5H2,1-3H3
InChIKeyWTTGVIZWWKWYMS-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.32
Rot. Bonds1

About 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one

1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one (PubChem CID 126718947) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one
PubChem CID126718947
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one
SMILESCSC1(C)CCC(=O)N1C
InChIInChI=1S/C7H13NOS/c1-7(10-3)5-4-6(9)8(7)2/h4-5H2,1-3H3
InChIKeyWTTGVIZWWKWYMS-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one (CID 126718947) is 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one is CSC1(C)CCC(=O)N1C.
What is the InChIKey of 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one?
The InChIKey is WTTGVIZWWKWYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(10-3)5-4-6(9)8(7)2/h4-5H2,1-3H3.
What are the key properties of 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one?
1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 126718947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).