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

C11H18N2O4S3 — CID 19759864

IUPAC5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide
SMILESCC(C)NCC1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C11H18N2O4S3/c1-7(2)13-6-11(3)5-8-4-9(20(12,16)17)18-10(8)19(11,14)15/h4,7,13H,5-6H2,1-3H3,(H2,12,16,17)
InChIKeyWWADATKKXBSCEE-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.48
Rot. Bonds4

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

5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide (PubChem CID 19759864) has the molecular formula C11H18N2O4S3 and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide
PubChem CID19759864
Molecular FormulaC11H18N2O4S3
Molecular Weight338.48 g/mol
Exact Mass338.04
IUPAC Name5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide
SMILESCC(C)NCC1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C11H18N2O4S3/c1-7(2)13-6-11(3)5-8-4-9(20(12,16)17)18-10(8)19(11,14)15/h4,7,13H,5-6H2,1-3H3,(H2,12,16,17)
InChIKeyWWADATKKXBSCEE-UHFFFAOYSA-N
XLogP0.48
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide (CID 19759864) is 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide is CC(C)NCC1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide?
The InChIKey is WWADATKKXBSCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S3/c1-7(2)13-6-11(3)5-8-4-9(20(12,16)17)18-10(8)19(11,14)15/h4,7,13H,5-6H2,1-3H3,(H2,12,16,17).
What are the key properties of 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide?
5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,6-dioxo-5-[(propan-2-ylamino)methyl]-4H-thieno[2,3-b]thiophene-2-sulfonamide is sourced from PubChem (CID 19759864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).