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

C13H21ClN2O4S3 — CID 14460483

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C13H20N2O4S3.ClH/c1-18-5-3-15(4-6-19-2)9-11-7-10-8-12(22(14,16)17)21-13(10)20-11;/h7-8H,3-6,9H2,1-2H3,(H2,14,16,17);1H
InChIKeyICJOQJXWXLKPAB-UHFFFAOYSA-N
MW400.98 g/mol
LogP2.13
Rot. Bonds9

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

2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14460483) has the molecular formula C13H21ClN2O4S3 and a molecular weight of 400.98 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14460483
Molecular FormulaC13H21ClN2O4S3
Molecular Weight400.98 g/mol
Exact Mass400.04
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCOCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C13H20N2O4S3.ClH/c1-18-5-3-15(4-6-19-2)9-11-7-10-8-12(22(14,16)17)21-13(10)20-11;/h7-8H,3-6,9H2,1-2H3,(H2,14,16,17);1H
InChIKeyICJOQJXWXLKPAB-UHFFFAOYSA-N
XLogP2.13
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.98
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (CID 14460483) is 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1.Cl.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is ICJOQJXWXLKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S3.ClH/c1-18-5-3-15(4-6-19-2)9-11-7-10-8-12(22(14,16)17)21-13(10)20-11;/h7-8H,3-6,9H2,1-2H3,(H2,14,16,17);1H.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 400.98 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14460483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).