2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride

C8H11ClN2O2S3 — CID 14460461

IUPAC2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C8H10N2O2S3.ClH/c1-10-4-6-2-5-3-7(15(9,11)12)14-8(5)13-6;/h2-3,10H,4H2,1H3,(H2,9,11,12);1H
InChIKeyKHXDGIAJZXQOOH-UHFFFAOYSA-N
MW298.84 g/mol
LogP1.75
Rot. Bonds3

About 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride

2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14460461) has the molecular formula C8H11ClN2O2S3 and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14460461
Molecular FormulaC8H11ClN2O2S3
Molecular Weight298.84 g/mol
Exact Mass297.97
IUPAC Name2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C8H10N2O2S3.ClH/c1-10-4-6-2-5-3-7(15(9,11)12)14-8(5)13-6;/h2-3,10H,4H2,1H3,(H2,9,11,12);1H
InChIKeyKHXDGIAJZXQOOH-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride 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 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (CID 14460461) is 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is CNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl.
What is the InChIKey of 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is KHXDGIAJZXQOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S3.ClH/c1-10-4-6-2-5-3-7(15(9,11)12)14-8(5)13-6;/h2-3,10H,4H2,1H3,(H2,9,11,12);1H.
What are the key properties of 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14460461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).