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

C8H11ClN2O2S3 — CID 14601405

IUPAC2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride
SMILESCNCc1cc2sc(S(N)(=O)=O)cc2s1.Cl
InChIInChI=1S/C8H10N2O2S3.ClH/c1-10-4-5-2-6-7(13-5)3-8(14-6)15(9,11)12;/h2-3,10H,4H2,1H3,(H2,9,11,12);1H
InChIKeyBMLRPJWMNHMJMN-UHFFFAOYSA-N
MW298.84 g/mol
LogP1.75
Rot. Bonds3

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

2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14601405) has the molecular formula C8H11ClN2O2S3 and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14601405
Molecular FormulaC8H11ClN2O2S3
Molecular Weight298.84 g/mol
Exact Mass297.97
IUPAC Name2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride
SMILESCNCc1cc2sc(S(N)(=O)=O)cc2s1.Cl
InChIInChI=1S/C8H10N2O2S3.ClH/c1-10-4-5-2-6-7(13-5)3-8(14-6)15(9,11)12;/h2-3,10H,4H2,1H3,(H2,9,11,12);1H
InChIKeyBMLRPJWMNHMJMN-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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride (CID 14601405) is 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride is CNCc1cc2sc(S(N)(=O)=O)cc2s1.Cl.
What is the InChIKey of 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is BMLRPJWMNHMJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S3.ClH/c1-10-4-5-2-6-7(13-5)3-8(14-6)15(9,11)12;/h2-3,10H,4H2,1H3,(H2,9,11,12);1H.
What are the key properties of 2-(methylaminomethyl)thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
2-(methylaminomethyl)thieno[3,2-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[3,2-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14601405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).