N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine

C15H24N2O2S — CID 63217971

IUPACN-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-16-12-13-6-8-14(9-7-13)20(18,19)17-11-5-10-15(17,2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyWXNCUXPMQWQECS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.36
Rot. Bonds5

About N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine

N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine (PubChem CID 63217971) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
PubChem CID63217971
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-16-12-13-6-8-14(9-7-13)20(18,19)17-11-5-10-15(17,2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyWXNCUXPMQWQECS-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Pf-04455242
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4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
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2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
4-{2-[(2-Phenylethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 17158039
(2S)-2-(4-Fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
CID 32681978
7-(pyrrolidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44573221

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine (CID 63217971) is N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine is CCNCc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1.
What is the InChIKey of N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The InChIKey is WXNCUXPMQWQECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-16-12-13-6-8-14(9-7-13)20(18,19)17-11-5-10-15(17,2)3/h6-9,16H,4-5,10-12H2,1-3H3.
What are the key properties of N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine is sourced from PubChem (CID 63217971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).