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

C8H16N2O4S — CID 79578341

IUPACN-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)CCO
InChIInChI=1S/C8H16N2O4S/c1-14-7-5-10(4-2-3-9)15(12,13)8-6-11/h11H,2,4-8H2,1H3
InChIKeyFYHYTQVYDRLMIP-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.83
Rot. Bonds8

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

N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide (PubChem CID 79578341) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
PubChem CID79578341
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)CCO
InChIInChI=1S/C8H16N2O4S/c1-14-7-5-10(4-2-3-9)15(12,13)8-6-11/h11H,2,4-8H2,1H3
InChIKeyFYHYTQVYDRLMIP-UHFFFAOYSA-N
XLogP-0.83
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
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
N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide
CID 79589740
2-hydroxy-N-(2-methoxyethyl)-N-prop-2-enylethanesulfonamide
CID 103339659
methyl 4-[bis(2-cyanoethyl)sulfamoyl]butanoate
CID 61460452
3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
CID 100729589
methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
CID 63286662
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
(3R)-3-[[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-methylamino]butanenitrile
CID 100729918
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide (CID 79578341) is N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide is COCCN(CCC#N)S(=O)(=O)CCO.
What is the InChIKey of N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide?
The InChIKey is FYHYTQVYDRLMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-14-7-5-10(4-2-3-9)15(12,13)8-6-11/h11H,2,4-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide?
N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide has a molecular weight of 236.29 g/mol, XLogP of -0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide is sourced from PubChem (CID 79578341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).