5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline

C14H22N2O4S — CID 79961883

IUPAC5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline
SMILESCCC1COCCN1S(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-4-11-9-20-6-5-16(11)21(17,18)14-8-12(15)10(2)7-13(14)19-3/h7-8,11H,4-6,9,15H2,1-3H3
InChIKeyXSTCMZSTXAPRSY-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.39
Rot. Bonds4

About 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline

5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline (PubChem CID 79961883) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline.

Molecular Properties

Compound Name5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline
PubChem CID79961883
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline
SMILESCCC1COCCN1S(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-4-11-9-20-6-5-16(11)21(17,18)14-8-12(15)10(2)7-13(14)19-3/h7-8,11H,4-6,9,15H2,1-3H3
InChIKeyXSTCMZSTXAPRSY-UHFFFAOYSA-N
XLogP1.39
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline?
The IUPAC name of 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline (CID 79961883) is 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline.
What is the SMILES notation for 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline?
The canonical SMILES for 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline is CCC1COCCN1S(=O)(=O)c1cc(N)c(C)cc1OC.
What is the InChIKey of 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline?
The InChIKey is XSTCMZSTXAPRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-11-9-20-6-5-16(11)21(17,18)14-8-12(15)10(2)7-13(14)19-3/h7-8,11H,4-6,9,15H2,1-3H3.
What are the key properties of 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline?
5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline has a molecular weight of 314.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline is sourced from PubChem (CID 79961883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).