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

C9H13ClN2O3S3 — CID 14460465

IUPAC2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc2cc(CNCCO)sc2s1
InChIInChI=1S/C9H12N2O3S3.ClH/c10-17(13,14)8-4-6-3-7(5-11-1-2-12)15-9(6)16-8;/h3-4,11-12H,1-2,5H2,(H2,10,13,14);1H
InChIKeyGNBBFLGSNZSNKK-UHFFFAOYSA-N
MW328.87 g/mol
LogP1.11
Rot. Bonds5

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

2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14460465) has the molecular formula C9H13ClN2O3S3 and a molecular weight of 328.87 g/mol. Its IUPAC name is 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14460465
Molecular FormulaC9H13ClN2O3S3
Molecular Weight328.87 g/mol
Exact Mass327.98
IUPAC Name2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc2cc(CNCCO)sc2s1
InChIInChI=1S/C9H12N2O3S3.ClH/c10-17(13,14)8-4-6-3-7(5-11-1-2-12)15-9(6)16-8;/h3-4,11-12H,1-2,5H2,(H2,10,13,14);1H
InChIKeyGNBBFLGSNZSNKK-UHFFFAOYSA-N
XLogP1.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxyethylamino)methyl]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-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (CID 14460465) is 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is Cl.NS(=O)(=O)c1cc2cc(CNCCO)sc2s1.
What is the InChIKey of 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is GNBBFLGSNZSNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S3.ClH/c10-17(13,14)8-4-6-3-7(5-11-1-2-12)15-9(6)16-8;/h3-4,11-12H,1-2,5H2,(H2,10,13,14);1H.
What are the key properties of 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14460465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).