N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline

C15H24N2O3S — CID 102745577

IUPACN-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H24N2O3S/c1-14(2)10-17(11-15(3,4)20-14)21(18,19)13-9-7-6-8-12(13)16-5/h6-9,16H,10-11H2,1-5H3
InChIKeyQEXKCFHROFPTMJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.31
Rot. Bonds3

About N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline

N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline (PubChem CID 102745577) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound NameN-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline
PubChem CID102745577
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H24N2O3S/c1-14(2)10-17(11-15(3,4)20-14)21(18,19)13-9-7-6-8-12(13)16-5/h6-9,16H,10-11H2,1-5H3
InChIKeyQEXKCFHROFPTMJ-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 62148456
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352
2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
CID 62143268
3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyridin-4-amine
CID 102745571
N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79165858
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
CID 62149886
4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol
CID 102744853
N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine
CID 103300546
4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione
CID 66061654
2-(methylamino)-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55043701
[4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 102743555

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline (CID 102745577) is N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline is CNc1ccccc1S(=O)(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline?
The InChIKey is QEXKCFHROFPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-14(2)10-17(11-15(3,4)20-14)21(18,19)13-9-7-6-8-12(13)16-5/h6-9,16H,10-11H2,1-5H3.
What are the key properties of N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline?
N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 102745577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).