2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline

C13H20N2O4S — CID 43592433

IUPAC2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline
SMILESCOc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-13(2)9-15(6-7-19-13)20(16,17)12-5-4-10(18-3)8-11(12)14/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeySEBPFVQMUXKRBV-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.08
Rot. Bonds3

About 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline

2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline (PubChem CID 43592433) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline
PubChem CID43592433
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline
SMILESCOc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-13(2)9-15(6-7-19-13)20(16,17)12-5-4-10(18-3)8-11(12)14/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeySEBPFVQMUXKRBV-UHFFFAOYSA-N
XLogP1.08
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.08
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

1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096099
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-nitroaniline
CID 62147726
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
5-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392074
4-amino-2-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 102931001
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline
CID 43663015
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80645839
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-fluorobenzoic acid
CID 79177245
3,5-dibromo-2-(2,2-dimethylmorpholin-4-yl)sulfonylaniline
CID 43592467
5-methoxy-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407860

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline (CID 43592433) is 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline is COc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)c(N)c1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline?
The InChIKey is SEBPFVQMUXKRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2)9-15(6-7-19-13)20(16,17)12-5-4-10(18-3)8-11(12)14/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline?
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline has a molecular weight of 300.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline is sourced from PubChem (CID 43592433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).