N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride

C11H16ClN3O3S3 — CID 14700204

IUPACN-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C11H15N3O3S3.ClH/c1-14(2)4-3-13-10(15)8-5-7-6-9(20(12,16)17)19-11(7)18-8;/h5-6H,3-4H2,1-2H3,(H,13,15)(H2,12,16,17);1H
InChIKeyYNDAVZRWTFBJLS-UHFFFAOYSA-N
MW369.92 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride (PubChem CID 14700204) has the molecular formula C11H16ClN3O3S3 and a molecular weight of 369.92 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
PubChem CID14700204
Molecular FormulaC11H16ClN3O3S3
Molecular Weight369.92 g/mol
Exact Mass369.00
IUPAC NameN-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C11H15N3O3S3.ClH/c1-14(2)4-3-13-10(15)8-5-7-6-9(20(12,16)17)19-11(7)18-8;/h5-6H,3-4H2,1-2H3,(H,13,15)(H2,12,16,17);1H
InChIKeyYNDAVZRWTFBJLS-UHFFFAOYSA-N
XLogP1.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(N-2,3-Dihydroxypropylcarbamoyl)thieno[2,3-b]thiophene-2-sulfonamide
CID 14700208
5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid (2-methanesulfinyl-ethyl)-amide
CID 14700210
5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid bis-(2-hydroxy-ethyl)-amide
CID 14700207
N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700212
5-sulfamoyl-N-(2-thiomorpholin-4-ylethyl)thieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700214
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
N-(thien-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3238829
N-(2-cyclohex-1-en-1-ylethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3240940
3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5105832
N-[2-(Thiophen-2-YL)-2-(thiophene-2-sulfonyl)ethyl]benzamide
CID 16032221
N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 45264429
N-[1-(cyanomethylamino)-3-(2-methylpropylsulfonyl)-1-oxopropan-2-yl]thieno[2,3-b]thiophene-5-carboxamide
CID 60166497

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride (CID 14700204) is N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride is CN(C)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
The InChIKey is YNDAVZRWTFBJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S3.ClH/c1-14(2)4-3-13-10(15)8-5-7-6-9(20(12,16)17)19-11(7)18-8;/h5-6H,3-4H2,1-2H3,(H,13,15)(H2,12,16,17);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 14700204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).