6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

C10H16N2O4S3 — CID 15615028

IUPAC6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCN(C)CC1CCc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H16N2O4S3/c1-12(2)6-8-4-3-7-5-9(19(11,15)16)17-10(7)18(8,13)14/h5,8H,3-4,6H2,1-2H3,(H2,11,15,16)
InChIKeyBFXGMXQRCISOAA-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.05
Rot. Bonds3

About 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 15615028) has the molecular formula C10H16N2O4S3 and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID15615028
Molecular FormulaC10H16N2O4S3
Molecular Weight324.45 g/mol
Exact Mass324.03
IUPAC Name6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCN(C)CC1CCc2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H16N2O4S3/c1-12(2)6-8-4-3-7-5-9(19(11,15)16)17-10(7)18(8,13)14/h5,8H,3-4,6H2,1-2H3,(H2,11,15,16)
InChIKeyBFXGMXQRCISOAA-UHFFFAOYSA-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 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide with MolForge

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Related Compounds

Dorzolamide
CID 5284549
Dorzolamide Hydrochloride
CID 6918132
Sezolamide
CID 60693
4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide
CID 3154
(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 92087
(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide
CID 5288859
(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 6604453
N-Deethyldorzolamide
CID 3074858
Trans-5,6-dihydro-4-ethylamino-6-(n-propyl)-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
CID 9863339
(4S,6R)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266117
ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]azanium
CID 36688115
(6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44390002

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 15615028) is 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is CN(C)CC1CCc2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is BFXGMXQRCISOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S3/c1-12(2)6-8-4-3-7-5-9(19(11,15)16)17-10(7)18(8,13)14/h5,8H,3-4,6H2,1-2H3,(H2,11,15,16).
What are the key properties of 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-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 6-[(dimethylamino)methyl]-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 15615028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).