3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline

C14H22N2O4S — CID 43663015

IUPAC3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H22N2O4S/c1-4-19-12-6-5-11(15)9-13(12)21(17,18)16-7-8-20-14(2,3)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyZINYTGOZULDYBU-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.47
Rot. Bonds4

About 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline

3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline (PubChem CID 43663015) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline
PubChem CID43663015
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H22N2O4S/c1-4-19-12-6-5-11(15)9-13(12)21(17,18)16-7-8-20-14(2,3)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyZINYTGOZULDYBU-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 102931001
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80645839
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-nitroaniline
CID 62147726
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline
CID 43592433
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 43663013
4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43592435
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
4-chloro-3-(2,2-dimethylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 80694525
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-fluorobenzoic acid
CID 79177245
2-bromo-3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077319
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
5-amino-2-(2,2-dimethylmorpholin-4-yl)-N-methylbenzenesulfonamide
CID 103286780

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline (CID 43663015) is 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline is CCOc1ccc(N)cc1S(=O)(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline?
The InChIKey is ZINYTGOZULDYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-19-12-6-5-11(15)9-13(12)21(17,18)16-7-8-20-14(2,3)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline?
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline has a molecular weight of 314.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline is sourced from PubChem (CID 43663015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).