N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide

C9H18N2O2S — CID 39243884

IUPACN-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C9H18N2O2S/c1-3-5-9-14(12,13)11(4-2)8-6-7-10/h3-6,8-9H2,1-2H3
InChIKeyVKIPDXOUQRNDAQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.35
Rot. Bonds7

About N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide

N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide (PubChem CID 39243884) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide
PubChem CID39243884
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C9H18N2O2S/c1-3-5-9-14(12,13)11(4-2)8-6-7-10/h3-6,8-9H2,1-2H3
InChIKeyVKIPDXOUQRNDAQ-UHFFFAOYSA-N
XLogP1.35
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide (CID 39243884) is N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CC)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide?
The InChIKey is VKIPDXOUQRNDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-5-9-14(12,13)11(4-2)8-6-7-10/h3-6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide?
N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethylbutane-1-sulfonamide is sourced from PubChem (CID 39243884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).