N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide

C12H17NO2S2 — CID 167820513

IUPACN-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide
SMILESCN(C12CCC(CC1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H17NO2S2/c1-13(12-6-4-10(9-12)5-7-12)17(14,15)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyIVMWNZVRBJRZJB-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.70
Rot. Bonds3

About N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide

N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide (PubChem CID 167820513) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide
PubChem CID167820513
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide
SMILESCN(C12CCC(CC1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H17NO2S2/c1-13(12-6-4-10(9-12)5-7-12)17(14,15)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyIVMWNZVRBJRZJB-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-bicyclo[2.2.1]heptanyl)-N-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-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide (CID 167820513) is N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide is CN(C12CCC(CC1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is IVMWNZVRBJRZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-13(12-6-4-10(9-12)5-7-12)17(14,15)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide?
N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 271.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 167820513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).