2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline

C12H18N2O3S — CID 82002195

IUPAC2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline
SMILESCC1COCCN1c1cccc(S(C)(=O)=O)c1N
InChIInChI=1S/C12H18N2O3S/c1-9-8-17-7-6-14(9)10-4-3-5-11(12(10)13)18(2,15)16/h3-5,9H,6-8,13H2,1-2H3
InChIKeyAEARBSCZCTXZHR-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.90
Rot. Bonds2

About 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline

2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline (PubChem CID 82002195) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline
PubChem CID82002195
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline
SMILESCC1COCCN1c1cccc(S(C)(=O)=O)c1N
InChIInChI=1S/C12H18N2O3S/c1-9-8-17-7-6-14(9)10-4-3-5-11(12(10)13)18(2,15)16/h3-5,9H,6-8,13H2,1-2H3
InChIKeyAEARBSCZCTXZHR-UHFFFAOYSA-N
XLogP0.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.90
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 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline (CID 82002195) is 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline is CC1COCCN1c1cccc(S(C)(=O)=O)c1N.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline?
The InChIKey is AEARBSCZCTXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-8-17-7-6-14(9)10-4-3-5-11(12(10)13)18(2,15)16/h3-5,9H,6-8,13H2,1-2H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline?
2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline has a molecular weight of 270.35 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline is sourced from PubChem (CID 82002195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).