methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate

C8H7NO4S3 — CID 14700202

IUPACmethyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
SMILESCOC(=O)c1cc2cc(S(N)(=O)=O)sc2s1
InChIInChI=1S/C8H7NO4S3/c1-13-7(10)5-2-4-3-6(16(9,11)12)15-8(4)14-5/h2-3H,1H3,(H2,9,11,12)
InChIKeyHXNLNHYNSQAKRY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.40
Rot. Bonds2

About methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate

methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate (PubChem CID 14700202) has the molecular formula C8H7NO4S3 and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
PubChem CID14700202
Molecular FormulaC8H7NO4S3
Molecular Weight277.35 g/mol
Exact Mass276.95
IUPAC Namemethyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
SMILESCOC(=O)c1cc2cc(S(N)(=O)=O)sc2s1
InChIInChI=1S/C8H7NO4S3/c1-13-7(10)5-2-4-3-6(16(9,11)12)15-8(4)14-5/h2-3H,1H3,(H2,9,11,12)
InChIKeyHXNLNHYNSQAKRY-UHFFFAOYSA-N
XLogP1.40
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate
CID 133061638
methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
CID 172915979
methyl 5-chlorosulfonyl-4-methylthiophene-2-carboxylate;methyl 4-methyl-5-sulfamoylthiophene-2-carboxylate
CID 158539883
5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663921
ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284
methyl 2-bromo-4-methyl-5-sulfamoylbenzoate
CID 18937264
tert-butyl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate
CID 133062598
2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460483
methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
CID 64591938
methyl 6-bromo-7-methoxy-1-benzothiophene-2-carboxylate
CID 121413713
propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate
CID 133059840

Frequently Asked Questions

What is the IUPAC name of methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate?
The IUPAC name of methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate (CID 14700202) is methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate is COC(=O)c1cc2cc(S(N)(=O)=O)sc2s1.
What is the InChIKey of methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate?
The InChIKey is HXNLNHYNSQAKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S3/c1-13-7(10)5-2-4-3-6(16(9,11)12)15-8(4)14-5/h2-3H,1H3,(H2,9,11,12).
What are the key properties of methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate?
methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate is sourced from PubChem (CID 14700202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).