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

C10H16N2O2S3 — CID 14392116

IUPAC6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCN(C)CC1CCc2cc(S(N)(=O)=O)sc2S1
InChIInChI=1S/C10H16N2O2S3/c1-12(2)6-8-4-3-7-5-9(17(11,13)14)16-10(7)15-8/h5,8H,3-4,6H2,1-2H3,(H2,11,13,14)
InChIKeyBLYJFLBCHJOTOW-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.36
Rot. Bonds3

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

6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 14392116) has the molecular formula C10H16N2O2S3 and a molecular weight of 292.45 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID14392116
Molecular FormulaC10H16N2O2S3
Molecular Weight292.45 g/mol
Exact Mass292.04
IUPAC Name6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCN(C)CC1CCc2cc(S(N)(=O)=O)sc2S1
InChIInChI=1S/C10H16N2O2S3/c1-12(2)6-8-4-3-7-5-9(17(11,13)14)16-10(7)15-8/h5,8H,3-4,6H2,1-2H3,(H2,11,13,14)
InChIKeyBLYJFLBCHJOTOW-UHFFFAOYSA-N
XLogP1.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dorzolamide
CID 5284549
Dorzolamide Hydrochloride
CID 6918132
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
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
(4S,6S)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266037
(4S,6R)-4-(ethylamino)-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266090

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 14392116) is 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is CN(C)CC1CCc2cc(S(N)(=O)=O)sc2S1.
What is the InChIKey of 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is BLYJFLBCHJOTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S3/c1-12(2)6-8-4-3-7-5-9(17(11,13)14)16-10(7)15-8/h5,8H,3-4,6H2,1-2H3,(H2,11,13,14).
What are the key properties of 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 14392116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).