4-methyl-2-(2-methylsulfonylethyl)pyrrolidine

C8H17NO2S — CID 57138235

IUPAC4-methyl-2-(2-methylsulfonylethyl)pyrrolidine
SMILESCC1CNC(CCS(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7-5-8(9-6-7)3-4-12(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyVJNJEKANHJXMHP-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.42
Rot. Bonds3

About 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine

4-methyl-2-(2-methylsulfonylethyl)pyrrolidine (PubChem CID 57138235) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name4-methyl-2-(2-methylsulfonylethyl)pyrrolidine
PubChem CID57138235
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-methyl-2-(2-methylsulfonylethyl)pyrrolidine
SMILESCC1CNC(CCS(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7-5-8(9-6-7)3-4-12(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyVJNJEKANHJXMHP-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methanesulfonylmethyl)pyrrolidine
CID 23401765
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 164634032
3-(1,1-dioxothiolan-3-yl)-3-fluoro-N-methylpropan-1-amine
CID 105463175
3-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylpropan-1-amine
CID 105463182
2-(1-Fluoro-4-methylsulfonylbutyl)pyrrolidine
CID 106640176
2-(1-Fluoro-3-methylsulfonylpropyl)pyrrolidine
CID 106640234
2-[Fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine
CID 106640581
2-(1-Fluoro-3-propylsulfonylpropyl)pyrrolidine
CID 106735987

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
The IUPAC name of 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine (CID 57138235) is 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
The canonical SMILES for 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine is CC1CNC(CCS(C)(=O)=O)C1.
What is the InChIKey of 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
The InChIKey is VJNJEKANHJXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7-5-8(9-6-7)3-4-12(2,10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
4-methyl-2-(2-methylsulfonylethyl)pyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 57138235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).