1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

C14H22N2O2S — CID 120712080

IUPAC1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCCc1ccccc1S(=O)(=O)N1CCCC1CNC
InChIInChI=1S/C14H22N2O2S/c1-3-12-7-4-5-9-14(12)19(17,18)16-10-6-8-13(16)11-15-2/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3
InChIKeyCNKLJTMDHWAYSX-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds5

About 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 120712080) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
PubChem CID120712080
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCCc1ccccc1S(=O)(=O)N1CCCC1CNC
InChIInChI=1S/C14H22N2O2S/c1-3-12-7-4-5-9-14(12)19(17,18)16-10-6-8-13(16)11-15-2/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3
InChIKeyCNKLJTMDHWAYSX-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
methyl 2-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119991295
1-[(2S)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574941
N-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63250411
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
1-[1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316506
1-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990956
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
1-[(2R)-1-(5-bromo-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124687563

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (CID 120712080) is 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is CCc1ccccc1S(=O)(=O)N1CCCC1CNC.
What is the InChIKey of 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is CNKLJTMDHWAYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-12-7-4-5-9-14(12)19(17,18)16-10-6-8-13(16)11-15-2/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3.
What are the key properties of 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 282.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 120712080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).