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

C10H16N2O4S3 — CID 18652238

IUPAC(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
SMILESCN(C)C[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H16N2O4S3/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)/t10-/m0/s1
InChIKeyGYJQBZHKTBUCGU-JTQLQIEISA-N
MW324.45 g/mol
LogP0.05
Rot. Bonds3

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

(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide (PubChem CID 18652238) has the molecular formula C10H16N2O4S3 and a molecular weight of 324.45 g/mol. Its IUPAC name is (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
PubChem CID18652238
Molecular FormulaC10H16N2O4S3
Molecular Weight324.45 g/mol
Exact Mass324.03
IUPAC Name(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
SMILESCN(C)C[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H16N2O4S3/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)/t10-/m0/s1
InChIKeyGYJQBZHKTBUCGU-JTQLQIEISA-N
XLogP0.05
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide 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)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
CID 18652239
1,1-dimethyl-3-[[(2S)-2-methyl-1,1-dioxo-2,3-dihydrothieno[2,3-b]thiophen-5-yl]sulfonyl]urea
CID 18652240
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 (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide?
The IUPAC name of (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide (CID 18652238) is (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide.
What is the SMILES notation for (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide?
The canonical SMILES for (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide is CN(C)C[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide?
The InChIKey is GYJQBZHKTBUCGU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O4S3/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)/t10-/m0/s1.
What are the key properties of (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide?
(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide is sourced from PubChem (CID 18652238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).