N-cyano-2-methylpropane-2-sulfonamide

C5H10N2O2S — CID 122631174

IUPACN-cyano-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC#N
InChIInChI=1S/C5H10N2O2S/c1-5(2,3)10(8,9)7-4-6/h7H,1-3H3
InChIKeyBSQGSBFJPRJVMX-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.19
Rot. Bonds1

About N-cyano-2-methylpropane-2-sulfonamide

N-cyano-2-methylpropane-2-sulfonamide (PubChem CID 122631174) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-cyano-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-cyano-2-methylpropane-2-sulfonamide
PubChem CID122631174
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-cyano-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC#N
InChIInChI=1S/C5H10N2O2S/c1-5(2,3)10(8,9)7-4-6/h7H,1-3H3
InChIKeyBSQGSBFJPRJVMX-UHFFFAOYSA-N
XLogP0.19
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-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-cyano-2-methylpropane-2-sulfonamide?
The IUPAC name of N-cyano-2-methylpropane-2-sulfonamide (CID 122631174) is N-cyano-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-cyano-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-cyano-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC#N.
What is the InChIKey of N-cyano-2-methylpropane-2-sulfonamide?
The InChIKey is BSQGSBFJPRJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-5(2,3)10(8,9)7-4-6/h7H,1-3H3.
What are the key properties of N-cyano-2-methylpropane-2-sulfonamide?
N-cyano-2-methylpropane-2-sulfonamide has a molecular weight of 162.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 122631174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).