N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide

C12H21N3O3S — CID 60580358

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(CCC#N)C2CC2)CC(C)O1
InChIInChI=1S/C12H21N3O3S/c1-10-8-14(9-11(2)18-10)19(16,17)15(7-3-6-13)12-4-5-12/h10-12H,3-5,7-9H2,1-2H3
InChIKeyVESDKGDIDAWOPG-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.72
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide

N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 60580358) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID60580358
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(CCC#N)C2CC2)CC(C)O1
InChIInChI=1S/C12H21N3O3S/c1-10-8-14(9-11(2)18-10)19(16,17)15(7-3-6-13)12-4-5-12/h10-12H,3-5,7-9H2,1-2H3
InChIKeyVESDKGDIDAWOPG-UHFFFAOYSA-N
XLogP0.72
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid
CID 54945247
2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride
CID 119993696
(2S,6R)-N,N,2,6-tetramethylmorpholine-4-sulfonamide
CID 884474
[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane
CID 114807765
N-(2-aminoethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 62688438
4-(2,6-dimethylmorpholin-4-yl)butanenitrile
CID 24695044
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 102675737
N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 61384412
(2R,6R)-N,2,6-trimethyl-N-[(3S)-pyrrolidin-3-yl]morpholine-4-sulfonamide
CID 124777060
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 79386593
N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
CID 3456731
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide (CID 60580358) is N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(CCC#N)C2CC2)CC(C)O1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is VESDKGDIDAWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10-8-14(9-11(2)18-10)19(16,17)15(7-3-6-13)12-4-5-12/h10-12H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 60580358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).