N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline

C14H22N2O2S — CID 62164191

IUPACN-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline
SMILESCCNc1ccccc1S(=O)(=O)N1CCCC1CC
InChIInChI=1S/C14H22N2O2S/c1-3-12-8-7-11-16(12)19(17,18)14-10-6-5-9-13(14)15-4-2/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3
InChIKeyUVUMSNVPIJKARJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.68
Rot. Bonds5

About N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline

N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 62164191) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline
PubChem CID62164191
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline
SMILESCCNc1ccccc1S(=O)(=O)N1CCCC1CC
InChIInChI=1S/C14H22N2O2S/c1-3-12-8-7-11-16(12)19(17,18)14-10-6-5-9-13(14)15-4-2/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3
InChIKeyUVUMSNVPIJKARJ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine
CID 104691705
[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
CID 62151316
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
[3-(2-ethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 60974921
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62157239
2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62157554
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-(3-bromopropyl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 80675411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline (CID 62164191) is N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline is CCNc1ccccc1S(=O)(=O)N1CCCC1CC.
What is the InChIKey of N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is UVUMSNVPIJKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-12-8-7-11-16(12)19(17,18)14-10-6-5-9-13(14)15-4-2/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 62164191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).