N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide

C9H12N2O2S2 — CID 47813179

IUPACN-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
SMILESCCN(CC#N)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H12N2O2S2/c1-3-11(7-6-10)15(12,13)9-5-4-8(2)14-9/h4-5H,3,7H2,1-2H3
InChIKeyNVDRUVGBTFQVDR-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.59
Rot. Bonds4

About N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide

N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide (PubChem CID 47813179) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
PubChem CID47813179
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC NameN-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
SMILESCCN(CC#N)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H12N2O2S2/c1-3-11(7-6-10)15(12,13)9-5-4-8(2)14-9/h4-5H,3,7H2,1-2H3
InChIKeyNVDRUVGBTFQVDR-UHFFFAOYSA-N
XLogP1.59
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N-ethyl-5-methylthiophene-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-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide (CID 47813179) is N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide is CCN(CC#N)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
The InChIKey is NVDRUVGBTFQVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-3-11(7-6-10)15(12,13)9-5-4-8(2)14-9/h4-5H,3,7H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide has a molecular weight of 244.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 47813179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).