1-(3-methylsulfonylphenyl)-3-propylpyrrolidine

C14H21NO2S — CID 10445709

IUPAC1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
SMILESCCCC1CCN(c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C14H21NO2S/c1-3-5-12-8-9-15(11-12)13-6-4-7-14(10-13)18(2,16)17/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3
InChIKeyFVQJDCIWJQFYQF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.72
Rot. Bonds4

About 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine

1-(3-methylsulfonylphenyl)-3-propylpyrrolidine (PubChem CID 10445709) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
PubChem CID10445709
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
SMILESCCCC1CCN(c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C14H21NO2S/c1-3-5-12-8-9-15(11-12)13-6-4-7-14(10-13)18(2,16)17/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3
InChIKeyFVQJDCIWJQFYQF-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine
CID 166793956
4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride
CID 75409784
ethane;1-phenyl-3-propylpiperidine
CID 123157098
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
3-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 115667514
1-(3,4-dichlorophenyl)-3-(2-methylsulfonylethyl)pyrrolidine
CID 140978552
(2S)-1-[(1,6-dimethylpiperidin-3-yl)methyl]-4-(3-methylsulfonylphenyl)-2-propan-2-ylpiperazine
CID 130305032
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
1-naphthalen-1-yl-3-propylpyrrolidine
CID 10376978
2-amino-5-(3-propylpyrrolidin-1-yl)benzonitrile
CID 113416873
3-(2-bromoethyl)-1-(4-propylsulfonylphenyl)pyrrolidine
CID 114800832
(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
CID 151743703

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine?
The IUPAC name of 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine (CID 10445709) is 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine?
The canonical SMILES for 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine is CCCC1CCN(c2cccc(S(C)(=O)=O)c2)C1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine?
The InChIKey is FVQJDCIWJQFYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-5-12-8-9-15(11-12)13-6-4-7-14(10-13)18(2,16)17/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine?
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)-3-propylpyrrolidine is sourced from PubChem (CID 10445709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).