N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide

C9H18N2O2S — CID 63689350

IUPACN-(1-cyanobutyl)-2-methylpropane-2-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-5-6-8(7-10)11-14(12,13)9(2,3)4/h8,11H,5-6H2,1-4H3
InChIKeySEMYNKMNNZEXDK-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.40
Rot. Bonds4

About N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide

N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide (PubChem CID 63689350) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2-methylpropane-2-sulfonamide
PubChem CID63689350
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(1-cyanobutyl)-2-methylpropane-2-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-5-6-8(7-10)11-14(12,13)9(2,3)4/h8,11H,5-6H2,1-4H3
InChIKeySEMYNKMNNZEXDK-UHFFFAOYSA-N
XLogP1.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanobutyl)-2-methylpropane-2-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-(1-cyanobutyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide (CID 63689350) is N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide is CCCC(C#N)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide?
The InChIKey is SEMYNKMNNZEXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-5-6-8(7-10)11-14(12,13)9(2,3)4/h8,11H,5-6H2,1-4H3.
What are the key properties of N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide?
N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).