1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one

C8H15NOS2 — CID 123282095

IUPAC1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one
SMILESCSCC(SC)N1CCCC1=O
InChIInChI=1S/C8H15NOS2/c1-11-6-8(12-2)9-5-3-4-7(9)10/h8H,3-6H2,1-2H3
InChIKeyWMMUYPVAMCKDKW-UHFFFAOYSA-N
MW205.35 g/mol
LogP1.66
Rot. Bonds4

About 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one

1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one (PubChem CID 123282095) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one
PubChem CID123282095
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one
SMILESCSCC(SC)N1CCCC1=O
InChIInChI=1S/C8H15NOS2/c1-11-6-8(12-2)9-5-3-4-7(9)10/h8H,3-6H2,1-2H3
InChIKeyWMMUYPVAMCKDKW-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one
CID 21154032
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one
CID 131751496
1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
CID 142297493
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one (CID 123282095) is 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one is CSCC(SC)N1CCCC1=O.
What is the InChIKey of 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one?
The InChIKey is WMMUYPVAMCKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-11-6-8(12-2)9-5-3-4-7(9)10/h8H,3-6H2,1-2H3.
What are the key properties of 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one?
1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one has a molecular weight of 205.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 123282095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).