2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline

C12H18N2O3S — CID 43104694

IUPAC2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1N
InChIInChI=1S/C12H18N2O3S/c1-9-3-4-11(7-12(9)13)18(15,16)14-5-6-17-10(2)8-14/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyYJAVNMRYOOZLJL-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.99
Rot. Bonds2

About 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline

2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline (PubChem CID 43104694) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
PubChem CID43104694
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1N
InChIInChI=1S/C12H18N2O3S/c1-9-3-4-11(7-12(9)13)18(15,16)14-5-6-17-10(2)8-14/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyYJAVNMRYOOZLJL-UHFFFAOYSA-N
XLogP0.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.99
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

2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62987939
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823
4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
CID 43348538
methyl 4-(3-amino-4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 115533508
2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986535
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 55171349
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 24692962
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline (CID 43104694) is 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline is Cc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1N.
What is the InChIKey of 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline?
The InChIKey is YJAVNMRYOOZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-3-4-11(7-12(9)13)18(15,16)14-5-6-17-10(2)8-14/h3-4,7,10H,5-6,8,13H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline?
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline has a molecular weight of 270.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 43104694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).