N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide

C13H19N3O4S — CID 1485492

IUPACN-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O4S/c1-15(2)21(18,19)12-5-3-11(4-6-12)14-13(17)16-7-9-20-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyICQNFTKUCDVHHJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.80
Rot. Bonds3

About N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide (PubChem CID 1485492) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide
PubChem CID1485492
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O4S/c1-15(2)21(18,19)12-5-3-11(4-6-12)14-13(17)16-7-9-20-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyICQNFTKUCDVHHJ-UHFFFAOYSA-N
XLogP0.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide (CID 1485492) is N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide?
The InChIKey is ICQNFTKUCDVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-15(2)21(18,19)12-5-3-11(4-6-12)14-13(17)16-7-9-20-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,17).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 1485492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).