1-methyl-3-methylsulfanylpyrrolidin-2-one

C6H11NOS — CID 58841838

IUPAC1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1CCN(C)C1=O
InChIInChI=1S/C6H11NOS/c1-7-4-3-5(9-2)6(7)8/h5H,3-4H2,1-2H3
InChIKeyFWUQERCBDMFUTL-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.58
Rot. Bonds1

About 1-methyl-3-methylsulfanylpyrrolidin-2-one

1-methyl-3-methylsulfanylpyrrolidin-2-one (PubChem CID 58841838) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylpyrrolidin-2-one
PubChem CID58841838
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1CCN(C)C1=O
InChIInChI=1S/C6H11NOS/c1-7-4-3-5(9-2)6(7)8/h5H,3-4H2,1-2H3
InChIKeyFWUQERCBDMFUTL-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 1-methyl-3-methylsulfanylpyrrolidin-2-one (CID 58841838) is 1-methyl-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-methylsulfanylpyrrolidin-2-one is CSC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is FWUQERCBDMFUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-7-4-3-5(9-2)6(7)8/h5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanylpyrrolidin-2-one?
1-methyl-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 145.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 58841838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).