5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride

C10H17ClN2O4S3 — CID 19759875

IUPAC5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
SMILESCN(C)CC1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.Cl
InChIInChI=1S/C10H16N2O4S3.ClH/c1-10(6-12(2)3)5-7-4-8(19(11,15)16)17-9(7)18(10,13)14;/h4H,5-6H2,1-3H3,(H2,11,15,16);1H
InChIKeyRTSHLLUHSVPKLM-UHFFFAOYSA-N
MW360.91 g/mol
LogP0.47
Rot. Bonds3

About 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride

5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride (PubChem CID 19759875) has the molecular formula C10H17ClN2O4S3 and a molecular weight of 360.91 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
PubChem CID19759875
Molecular FormulaC10H17ClN2O4S3
Molecular Weight360.91 g/mol
Exact Mass360.00
IUPAC Name5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
SMILESCN(C)CC1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.Cl
InChIInChI=1S/C10H16N2O4S3.ClH/c1-10(6-12(2)3)5-7-4-8(19(11,15)16)17-9(7)18(10,13)14;/h4H,5-6H2,1-3H3,(H2,11,15,16);1H
InChIKeyRTSHLLUHSVPKLM-UHFFFAOYSA-N
XLogP0.47
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride with MolForge

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Related Compounds

5-(dimethylamino)-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
CID 9928225
5-(dimethylamino)-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
CID 9928226
6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 14392116
6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 15615028
(5R)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
CID 18652234
(5R)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
CID 18652235
(5R)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
CID 18652236
(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
CID 18652237
(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
CID 18652238
(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
CID 18652239
5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide
CID 19759864
1-[5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophen-2-yl]-2-methylpropane-2-sulfonamide
CID 19759870

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride (CID 19759875) is 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride is CN(C)CC1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.Cl.
What is the InChIKey of 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is RTSHLLUHSVPKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S3.ClH/c1-10(6-12(2)3)5-7-4-8(19(11,15)16)17-9(7)18(10,13)14;/h4H,5-6H2,1-3H3,(H2,11,15,16);1H.
What are the key properties of 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 19759875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).