N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide

C11H22N2O3S — CID 55261573

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H22N2O3S/c1-11(2)5-10-17(14,15)13(7-4-6-12)8-9-16-3/h11H,4-5,7-10H2,1-3H3
InChIKeyJHBUOJNDUZTFCM-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.22
Rot. Bonds9

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide (PubChem CID 55261573) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
PubChem CID55261573
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H22N2O3S/c1-11(2)5-10-17(14,15)13(7-4-6-12)8-9-16-3/h11H,4-5,7-10H2,1-3H3
InChIKeyJHBUOJNDUZTFCM-UHFFFAOYSA-N
XLogP1.22
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
CID 79578341
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
methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
CID 63286662
N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide
CID 79589740
3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
CID 100729589
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
N-(2-cyanoethyl)-N-(2-methylpropyl)-1-methylsulfonylmethanesulfonamide
CID 82842637
methyl 4-[bis(2-cyanoethyl)sulfamoyl]butanoate
CID 61460452
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide (CID 55261573) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide is COCCN(CCC#N)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide?
The InChIKey is JHBUOJNDUZTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2)5-10-17(14,15)13(7-4-6-12)8-9-16-3/h11H,4-5,7-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 1.22, 9 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)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 55261573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).