3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline

C14H22N2O3S — CID 43544290

IUPAC3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CC(C)OCC1C
InChIInChI=1S/C14H22N2O3S/c1-4-12-5-6-13(15)7-14(12)20(17,18)16-8-11(3)19-9-10(16)2/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeyWLUAHVOSKNXXRX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.63
Rot. Bonds3

About 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline

3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline (PubChem CID 43544290) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
PubChem CID43544290
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CC(C)OCC1C
InChIInChI=1S/C14H22N2O3S/c1-4-12-5-6-13(15)7-14(12)20(17,18)16-8-11(3)19-9-10(16)2/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeyWLUAHVOSKNXXRX-UHFFFAOYSA-N
XLogP1.63
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.63
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

4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920372
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329
[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79186896
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
3-(azepan-1-ylsulfonyl)-4-ethylaniline
CID 43255737
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505048
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 60986467
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43256754

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline (CID 43544290) is 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline is CCc1ccc(N)cc1S(=O)(=O)N1CC(C)OCC1C.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline?
The InChIKey is WLUAHVOSKNXXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-12-5-6-13(15)7-14(12)20(17,18)16-8-11(3)19-9-10(16)2/h5-7,10-11H,4,8-9,15H2,1-3H3.
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline?
3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline has a molecular weight of 298.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline is sourced from PubChem (CID 43544290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).