3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one

C8H15NOS — CID 91404730

IUPAC3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one
SMILESCSC1(C(C)C)CCNC1=O
InChIInChI=1S/C8H15NOS/c1-6(2)8(11-3)4-5-9-7(8)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyIZNHIGJOSGTEOO-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.26
Rot. Bonds2

About 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one

3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 91404730) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID91404730
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one
SMILESCSC1(C(C)C)CCNC1=O
InChIInChI=1S/C8H15NOS/c1-6(2)8(11-3)4-5-9-7(8)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyIZNHIGJOSGTEOO-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one (CID 91404730) is 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one is CSC1(C(C)C)CCNC1=O.
What is the InChIKey of 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is IZNHIGJOSGTEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-6(2)8(11-3)4-5-9-7(8)10/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one?
3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 173.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 91404730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).