3-(2-ethylmorpholin-4-yl)sulfonylaniline

C12H18N2O3S — CID 43562350

IUPAC3-(2-ethylmorpholin-4-yl)sulfonylaniline
SMILESCCC1CN(S(=O)(=O)c2cccc(N)c2)CCO1
InChIInChI=1S/C12H18N2O3S/c1-2-11-9-14(6-7-17-11)18(15,16)12-5-3-4-10(13)8-12/h3-5,8,11H,2,6-7,9,13H2,1H3
InChIKeyRGKGUGNBSHLNGO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.07
Rot. Bonds3

About 3-(2-ethylmorpholin-4-yl)sulfonylaniline

3-(2-ethylmorpholin-4-yl)sulfonylaniline (PubChem CID 43562350) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)sulfonylaniline
PubChem CID43562350
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(2-ethylmorpholin-4-yl)sulfonylaniline
SMILESCCC1CN(S(=O)(=O)c2cccc(N)c2)CCO1
InChIInChI=1S/C12H18N2O3S/c1-2-11-9-14(6-7-17-11)18(15,16)12-5-3-4-10(13)8-12/h3-5,8,11H,2,6-7,9,13H2,1H3
InChIKeyRGKGUGNBSHLNGO-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43562909
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-ethylmorpholine
CID 42947765
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547
3-(2-ethylmorpholin-4-yl)sulfonyl-4-nitroaniline
CID 62146105
3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde
CID 167009225
2-ethyl-4-(3-fluoro-4-nitrophenyl)sulfonylmorpholine
CID 82846633
4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
CID 43562747
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43562582
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)sulfonylaniline (CID 43562350) is 3-(2-ethylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)sulfonylaniline is CCC1CN(S(=O)(=O)c2cccc(N)c2)CCO1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)sulfonylaniline?
The InChIKey is RGKGUGNBSHLNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-11-9-14(6-7-17-11)18(15,16)12-5-3-4-10(13)8-12/h3-5,8,11H,2,6-7,9,13H2,1H3.
What are the key properties of 3-(2-ethylmorpholin-4-yl)sulfonylaniline?
3-(2-ethylmorpholin-4-yl)sulfonylaniline has a molecular weight of 270.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 43562350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).