(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide

C10H14N2O5S3 — CID 18652239

IUPAC(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
SMILESCN(C)C(=O)[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H14N2O5S3/c1-10(9(13)12(2)3)5-6-4-7(20(11,16)17)18-8(6)19(10,14)15/h4H,5H2,1-3H3,(H2,11,16,17)/t10-/m0/s1
InChIKeySXULTRZKYOJOQJ-JTQLQIEISA-N
MW338.43 g/mol
LogP-0.43
Rot. Bonds2

About (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide

(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide (PubChem CID 18652239) has the molecular formula C10H14N2O5S3 and a molecular weight of 338.43 g/mol. Its IUPAC name is (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide.

Molecular Properties

Compound Name(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
PubChem CID18652239
Molecular FormulaC10H14N2O5S3
Molecular Weight338.43 g/mol
Exact Mass338.01
IUPAC Name(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
SMILESCN(C)C(=O)[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H14N2O5S3/c1-10(9(13)12(2)3)5-6-4-7(20(11,16)17)18-8(6)19(10,14)15/h4H,5H2,1-3H3,(H2,11,16,17)/t10-/m0/s1
InChIKeySXULTRZKYOJOQJ-JTQLQIEISA-N
XLogP-0.43
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide with MolForge

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Related Compounds

N-methyl-N-propylsulfonyl-3-thiophen-3-ylpropanamide
CID 71859563
N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974767
N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974832
5-(dimethylamino)-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
CID 9928226
(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
N-Ethyl-2-allyl-2,3-dihydrothieno[2,3-b]thiophene-2-carboxamide-1,1-dioxide
CID 19759865
5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
CID 19759875
5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide
CID 19759876

Frequently Asked Questions

What is the IUPAC name of (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
The IUPAC name of (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide (CID 18652239) is (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide.
What is the SMILES notation for (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
The canonical SMILES for (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide is CN(C)C(=O)[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
The InChIKey is SXULTRZKYOJOQJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O5S3/c1-10(9(13)12(2)3)5-6-4-7(20(11,16)17)18-8(6)19(10,14)15/h4H,5H2,1-3H3,(H2,11,16,17)/t10-/m0/s1.
What are the key properties of (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide has a molecular weight of 338.43 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide is sourced from PubChem (CID 18652239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).