N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide

C8H16N2O3S — CID 63286781

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCC#N)CCOC
InChIInChI=1S/C8H16N2O3S/c1-3-14(11,12)10(6-4-5-9)7-8-13-2/h3-4,6-8H2,1-2H3
InChIKeyKQCPSYFNCWSADQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.20
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide (PubChem CID 63286781) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
PubChem CID63286781
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCC#N)CCOC
InChIInChI=1S/C8H16N2O3S/c1-3-14(11,12)10(6-4-5-9)7-8-13-2/h3-4,6-8H2,1-2H3
InChIKeyKQCPSYFNCWSADQ-UHFFFAOYSA-N
XLogP0.20
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
CID 79578341
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
CID 55261573
N-(2-cyanoethyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butane-1-sulfonamide
CID 82903400
(3R)-3-[[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-methylamino]butanenitrile
CID 100729918
3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
CID 100729589
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
CID 63286662
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
CID 103099958
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 63287106

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide (CID 63286781) is N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide is CCS(=O)(=O)N(CCC#N)CCOC.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide?
The InChIKey is KQCPSYFNCWSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-14(11,12)10(6-4-5-9)7-8-13-2/h3-4,6-8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of 0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide is sourced from PubChem (CID 63286781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).