2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

C14H22N2O3S — CID 106773727

IUPAC2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C)c(C)c1N
InChIInChI=1S/C14H22N2O3S/c1-9-7-10(2)14(12(4)13(9)15)20(17,18)16-5-6-19-8-11(16)3/h7,11H,5-6,8,15H2,1-4H3/t11-/m1/s1
InChIKeyIJLWXEQQEXFQBX-LLVKDONJSA-N
MW298.41 g/mol
LogP1.60
Rot. Bonds2

About 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (PubChem CID 106773727) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
PubChem CID106773727
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C)c(C)c1N
InChIInChI=1S/C14H22N2O3S/c1-9-7-10(2)14(12(4)13(9)15)20(17,18)16-5-6-19-8-11(16)3/h7,11H,5-6,8,15H2,1-4H3/t11-/m1/s1
InChIKeyIJLWXEQQEXFQBX-LLVKDONJSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.60
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-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111021
3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773824
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826
4-bromo-3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773970

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (CID 106773727) is 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is Cc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C)c(C)c1N.
What is the InChIKey of 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The InChIKey is IJLWXEQQEXFQBX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-7-10(2)14(12(4)13(9)15)20(17,18)16-5-6-19-8-11(16)3/h7,11H,5-6,8,15H2,1-4H3/t11-/m1/s1.
What are the key properties of 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline has a molecular weight of 298.41 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 106773727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).