N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide

C9H18N2O3S — CID 55211798

IUPACN-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CC(C)C#N
InChIInChI=1S/C9H18N2O3S/c1-4-14-5-6-15(12,13)11(3)8-9(2)7-10/h9H,4-6,8H2,1-3H3
InChIKeyXWIHXOMZAUWUKI-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.44
Rot. Bonds7

About N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide

N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide (PubChem CID 55211798) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide
PubChem CID55211798
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CC(C)C#N
InChIInChI=1S/C9H18N2O3S/c1-4-14-5-6-15(12,13)11(3)8-9(2)7-10/h9H,4-6,8H2,1-3H3
InChIKeyXWIHXOMZAUWUKI-UHFFFAOYSA-N
XLogP0.44
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-1-(oxolan-3-yl)methanesulfonamide
CID 56789899
2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide
CID 171753729
Ethyl 2-[2-cyanopropyl(ethyl)sulfamoyl]acetate
CID 54988635
Ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate
CID 54990536
N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
CID 55031206
N-(2-cyanoethyl)-3-methoxy-N-(2-methylpropyl)propane-1-sulfonamide
CID 55170764
N-(2-cyanoethyl)-2-methoxy-N-propan-2-ylethanesulfonamide
CID 55207224
N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide
CID 55208208
N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 55208605
N-(2-cyanoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55218598
N-(cyanomethyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 55218599
N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
CID 55219622

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide (CID 55211798) is N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is XWIHXOMZAUWUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-4-14-5-6-15(12,13)11(3)8-9(2)7-10/h9H,4-6,8H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide?
N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 55211798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).