N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

C13H27N3O4S — CID 56782565

IUPACN-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H27N3O4S/c1-5-16(6-2)21(18,19)8-7-14-13(17)15-9-11(3)20-12(4)10-15/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyUUDXKIXUVMYNDX-UHFFFAOYSA-N
MW321.44 g/mol
LogP0.48
Rot. Bonds6

About N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 56782565) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID56782565
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC NameN-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H27N3O4S/c1-5-16(6-2)21(18,19)8-7-14-13(17)15-9-11(3)20-12(4)10-15/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyUUDXKIXUVMYNDX-UHFFFAOYSA-N
XLogP0.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-2,6-dimethyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]morpholine-4-carboxamide
CID 94031550
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95280981
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111979734
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
(2R,6S)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]-6-methylmorpholine-4-carboxamide
CID 96516458
2-(2,6-dimethylmorpholin-4-yl)-N,N-diethyl-2-oxoacetamide
CID 108504011
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 79386614
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea
CID 97355533
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide
CID 56540877

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (CID 56782565) is N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is CCN(CC)S(=O)(=O)CCNC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is UUDXKIXUVMYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-5-16(6-2)21(18,19)8-7-14-13(17)15-9-11(3)20-12(4)10-15/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 56782565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).