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

C15H24N2O2S — CID 60974926

IUPACN-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCCC2CC)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-14-6-5-11-17(14)20(18,19)15-9-7-13(8-10-15)12-16-4-2/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyGUUTVUGFDRWGKZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.36
Rot. Bonds6

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

N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine (PubChem CID 60974926) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
PubChem CID60974926
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCCC2CC)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-14-6-5-11-17(14)20(18,19)15-9-7-13(8-10-15)12-16-4-2/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyGUUTVUGFDRWGKZ-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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CID 61370104
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1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899
1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
CID 62922384
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
2-ethyl-1-(4-isocyanatophenyl)sulfonylpiperidine
CID 169354521
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
1-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546215

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine (CID 60974926) is N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine is CCNCc1ccc(S(=O)(=O)N2CCCC2CC)cc1.
What is the InChIKey of N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The InChIKey is GUUTVUGFDRWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-14-6-5-11-17(14)20(18,19)15-9-7-13(8-10-15)12-16-4-2/h7-10,14,16H,3-6,11-12H2,1-2H3.
What are the key properties of N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine is sourced from PubChem (CID 60974926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).