4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide

C11H16N4O4S — CID 83094213

IUPAC4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N4O4S/c12-7-1-2-8(10(5-7)20(14,17)18)15-3-4-19-6-9(15)11(13)16/h1-2,5,9H,3-4,6,12H2,(H2,13,16)(H2,14,17,18)
InChIKeyFNCGTQHMUBNHHA-UHFFFAOYSA-N
MW300.34 g/mol
LogP-1.39
Rot. Bonds3

About 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide

4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide (PubChem CID 83094213) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
PubChem CID83094213
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N4O4S/c12-7-1-2-8(10(5-7)20(14,17)18)15-3-4-19-6-9(15)11(13)16/h1-2,5,9H,3-4,6,12H2,(H2,13,16)(H2,14,17,18)
InChIKeyFNCGTQHMUBNHHA-UHFFFAOYSA-N
XLogP-1.39
TPSA141.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide
CID 83094570
methyl 5-amino-2-(3-carbamoylmorpholin-4-yl)benzoate
CID 83095654
4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide
CID 83094750
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
CID 112648201
4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide
CID 136809221
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
2-(3-carbamoylmorpholin-4-yl)-5-nitrobenzoic acid
CID 83098123
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098536

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide (CID 83094213) is 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide?
The InChIKey is FNCGTQHMUBNHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c12-7-1-2-8(10(5-7)20(14,17)18)15-3-4-19-6-9(15)11(13)16/h1-2,5,9H,3-4,6,12H2,(H2,13,16)(H2,14,17,18).
What are the key properties of 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide?
4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of -1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 83094213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).