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

C11H17ClN2O3S3 — CID 14460473

IUPAC2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCOCCCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C11H16N2O3S3.ClH/c1-16-4-2-3-13-7-9-5-8-6-10(19(12,14)15)18-11(8)17-9;/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15);1H
InChIKeyFGIOCFNTZHXULZ-UHFFFAOYSA-N
MW356.92 g/mol
LogP2.16
Rot. Bonds7

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

2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14460473) has the molecular formula C11H17ClN2O3S3 and a molecular weight of 356.92 g/mol. Its IUPAC name is 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14460473
Molecular FormulaC11H17ClN2O3S3
Molecular Weight356.92 g/mol
Exact Mass356.01
IUPAC Name2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCOCCCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C11H16N2O3S3.ClH/c1-16-4-2-3-13-7-9-5-8-6-10(19(12,14)15)18-11(8)17-9;/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15);1H
InChIKeyFGIOCFNTZHXULZ-UHFFFAOYSA-N
XLogP2.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (CID 14460473) is 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is COCCCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl.
What is the InChIKey of 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is FGIOCFNTZHXULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S3.ClH/c1-16-4-2-3-13-7-9-5-8-6-10(19(12,14)15)18-11(8)17-9;/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15);1H.
What are the key properties of 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 356.92 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14460473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).