4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide

C13H19N3O4S — CID 83096974

IUPAC4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H19N3O4S/c1-9-4-3-5-10(14)12(9)21(18,19)16-6-7-20-8-11(16)13(17)15-2/h3-5,11H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyPTIPVTBUKAUEBF-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.29
Rot. Bonds3

About 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide

4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide (PubChem CID 83096974) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
PubChem CID83096974
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H19N3O4S/c1-9-4-3-5-10(14)12(9)21(18,19)16-6-7-20-8-11(16)13(17)15-2/h3-5,11H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyPTIPVTBUKAUEBF-UHFFFAOYSA-N
XLogP-0.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111021
4-[(2-aminophenyl)methylsulfonyl]-N-methylmorpholine-3-carboxamide
CID 83096817
4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
CID 83103393
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
CID 114613914
4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 115533480
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
1-[4-(2-amino-6-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 43452392
4-[(2-amino-3-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83096793
2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
CID 62332105

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide (CID 83096974) is 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1S(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
The InChIKey is PTIPVTBUKAUEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-4-3-5-10(14)12(9)21(18,19)16-6-7-20-8-11(16)13(17)15-2/h3-5,11H,6-8,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83096974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).