N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

C10H12N2O4S4 — CID 14700210

IUPACN-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESCS(=O)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1
InChIInChI=1S/C10H12N2O4S4/c1-19(14)3-2-12-9(13)7-4-6-5-8(20(11,15)16)18-10(6)17-7/h4-5H,2-3H2,1H3,(H,12,13)(H2,11,15,16)
InChIKeyDKDCDRPHSHCNST-UHFFFAOYSA-N
MW352.48 g/mol
LogP0.72
Rot. Bonds5

About N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (PubChem CID 14700210) has the molecular formula C10H12N2O4S4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
PubChem CID14700210
Molecular FormulaC10H12N2O4S4
Molecular Weight352.48 g/mol
Exact Mass351.97
IUPAC NameN-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESCS(=O)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1
InChIInChI=1S/C10H12N2O4S4/c1-19(14)3-2-12-9(13)7-4-6-5-8(20(11,15)16)18-10(6)17-7/h4-5H,2-3H2,1H3,(H,12,13)(H2,11,15,16)
InChIKeyDKDCDRPHSHCNST-UHFFFAOYSA-N
XLogP0.72
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
CID 14700202
2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
CID 113480656
5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 115729501
5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
CID 61093849
2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460469
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 113278435
2-[[bis(2-methoxyethyl)amino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460483
N-(2-sulfamoylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 61129341
5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611553
5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 115688805

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The IUPAC name of N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (CID 14700210) is N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is CS(=O)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1.
What is the InChIKey of N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The InChIKey is DKDCDRPHSHCNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S4/c1-19(14)3-2-12-9(13)7-4-6-5-8(20(11,15)16)18-10(6)17-7/h4-5H,2-3H2,1H3,(H,12,13)(H2,11,15,16).
What are the key properties of N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is sourced from PubChem (CID 14700210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).