4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

C13H20N2O3S — CID 106773841

IUPAC4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C13H20N2O3S/c1-3-11-4-5-12(14)8-13(11)19(16,17)15-6-7-18-9-10(15)2/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m1/s1
InChIKeyPIFBWBYTRJGLRM-SNVBAGLBSA-N
MW284.38 g/mol
LogP1.24
Rot. Bonds3

About 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (PubChem CID 106773841) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
PubChem CID106773841
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCCc1ccc(N)cc1S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C13H20N2O3S/c1-3-11-4-5-12(14)8-13(11)19(16,17)15-6-7-18-9-10(15)2/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m1/s1
InChIKeyPIFBWBYTRJGLRM-SNVBAGLBSA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.24
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-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43542006
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
CID 43544290
methyl 4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoate
CID 106773732
N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102920370
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773824
3-(azepan-1-ylsulfonyl)-4-ethylaniline
CID 43255737

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (CID 106773841) is 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is CCc1ccc(N)cc1S(=O)(=O)N1CCOC[C@H]1C.
What is the InChIKey of 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The InChIKey is PIFBWBYTRJGLRM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-11-4-5-12(14)8-13(11)19(16,17)15-6-7-18-9-10(15)2/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline has a molecular weight of 284.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 106773841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).