1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone

C8H15NOS — CID 20660431

IUPAC1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone
SMILESCSC1CC(C(C)=O)N(C)C1
InChIInChI=1S/C8H15NOS/c1-6(10)8-4-7(11-3)5-9(8)2/h7-8H,4-5H2,1-3H3
InChIKeyMJDWOLSSMAGLMI-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.01
Rot. Bonds2

About 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone

1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone (PubChem CID 20660431) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone
PubChem CID20660431
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone
SMILESCSC1CC(C(C)=O)N(C)C1
InChIInChI=1S/C8H15NOS/c1-6(10)8-4-7(11-3)5-9(8)2/h7-8H,4-5H2,1-3H3
InChIKeyMJDWOLSSMAGLMI-UHFFFAOYSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
CID 70192630
1-[4-(dimethylamino)-1-methylpyrrolidin-2-yl]ethanone
CID 20647920
1-[(2S,4R)-4-ethenyl-1-methylpyrrolidin-2-yl]ethanone
CID 157025794
CID 174135760
CID 174135760
(2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine
CID 155070459
3-acetyl-2-methyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 20820154
S-(1,5-dimethylpyrrolidin-3-yl) ethanethioate
CID 142141198
1-[(4R)-1-acetyl-4-tert-butylsulfanylpyrrolidin-2-yl]ethanone
CID 143025399
1-(4-methylsulfanylcyclohexyl)ethanone
CID 134374203
3-methylsulfanylazetidine-1-carboxylic acid
CID 118168697

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone (CID 20660431) is 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone is CSC1CC(C(C)=O)N(C)C1.
What is the InChIKey of 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone?
The InChIKey is MJDWOLSSMAGLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-6(10)8-4-7(11-3)5-9(8)2/h7-8H,4-5H2,1-3H3.
What are the key properties of 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone?
1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone has a molecular weight of 173.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 20660431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).