(4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

C10H17N3O4S3 — CID 126710639

IUPAC(4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCN(C)[C@H]1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C10H17N3O4S3/c1-4-12(2)8-6-13(3)20(16,17)10-7(8)5-9(18-10)19(11,14)15/h5,8H,4,6H2,1-3H3,(H2,11,14,15)/t8-/m0/s1
InChIKeyQJUMOERBAPHVPF-QMMMGPOBSA-N
MW339.46 g/mol
LogP0.02
Rot. Bonds3

About (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

(4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 126710639) has the molecular formula C10H17N3O4S3 and a molecular weight of 339.46 g/mol. Its IUPAC name is (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name(4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID126710639
Molecular FormulaC10H17N3O4S3
Molecular Weight339.46 g/mol
Exact Mass339.04
IUPAC Name(4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCN(C)[C@H]1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C10H17N3O4S3/c1-4-12(2)8-6-13(3)20(16,17)10-7(8)5-9(18-10)19(11,14)15/h5,8H,4,6H2,1-3H3,(H2,11,14,15)/t8-/m0/s1
InChIKeyQJUMOERBAPHVPF-QMMMGPOBSA-N
XLogP0.02
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide with MolForge

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Related Compounds

Brinzolamide
CID 68844
Dorzolamide
CID 5284549
Dorzolamide Hydrochloride
CID 6918132
Sezolamide Hydrochloride
CID 60692
Sezolamide
CID 60693
AL-4623
CID 4369102
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
(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 6604453
Brinzolamide, (S)-
CID 6604454
N-Desethyl Brinzolamide
CID 10021113
(4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CID 4369091

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 126710639) is (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is CCN(C)[C@H]1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is QJUMOERBAPHVPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O4S3/c1-4-12(2)8-6-13(3)20(16,17)10-7(8)5-9(18-10)19(11,14)15/h5,8H,4,6H2,1-3H3,(H2,11,14,15)/t8-/m0/s1.
What are the key properties of (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
(4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[ethyl(methyl)amino]-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 126710639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).