3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine

C13H19NO2S — CID 110749816

IUPAC3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
SMILESCC1CCN(S(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C13H19NO2S/c1-12-7-9-14(11-12)17(15,16)10-8-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyCGOXXZZZICULCH-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.90
Rot. Bonds4

About 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine

3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine (PubChem CID 110749816) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
PubChem CID110749816
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
SMILESCC1CCN(S(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C13H19NO2S/c1-12-7-9-14(11-12)17(15,16)10-8-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyCGOXXZZZICULCH-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
CID 81457446
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
CID 142176904
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
CID 90898405
2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 86768437
[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
CID 103441395
(3-methylpiperidin-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone
CID 113005867
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide
CID 110299316
4-methyl-2-(2-phenylethylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110750626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine?
The IUPAC name of 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine (CID 110749816) is 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine.
What is the SMILES notation for 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine?
The canonical SMILES for 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine is CC1CCN(S(=O)(=O)CCc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine?
The InChIKey is CGOXXZZZICULCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-12-7-9-14(11-12)17(15,16)10-8-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine?
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine has a molecular weight of 253.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine is sourced from PubChem (CID 110749816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).