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

C10H15ClN2O3S3 — CID 14460471

IUPAC2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCOCCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C10H14N2O3S3.ClH/c1-15-3-2-12-6-8-4-7-5-9(18(11,13)14)17-10(7)16-8;/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14);1H
InChIKeyBKKZGNMRKYYKQK-UHFFFAOYSA-N
MW342.90 g/mol
LogP1.77
Rot. Bonds6

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

2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14460471) has the molecular formula C10H15ClN2O3S3 and a molecular weight of 342.90 g/mol. Its IUPAC name is 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14460471
Molecular FormulaC10H15ClN2O3S3
Molecular Weight342.90 g/mol
Exact Mass341.99
IUPAC Name2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCOCCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C10H14N2O3S3.ClH/c1-15-3-2-12-6-8-4-7-5-9(18(11,13)14)17-10(7)16-8;/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14);1H
InChIKeyBKKZGNMRKYYKQK-UHFFFAOYSA-N
XLogP1.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 51.77
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-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (CID 14460471) is 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is COCCNCc1cc2cc(S(N)(=O)=O)sc2s1.Cl.
What is the InChIKey of 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is BKKZGNMRKYYKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S3.ClH/c1-15-3-2-12-6-8-4-7-5-9(18(11,13)14)17-10(7)16-8;/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14);1H.
What are the key properties of 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 342.90 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14460471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).