2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide

C19H23N3O7S3 — CID 23645564

IUPAC2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOc1ccc(N2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1OC
InChIInChI=1S/C19H23N3O7S3/c1-27-16-4-3-14(11-17(16)28-2)22-15(12-21-5-7-29-8-6-21)9-13-10-18(31(20,23)24)30-19(13)32(22,25)26/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,23,24)
InChIKeyBWXPYQBMTBKNFK-UHFFFAOYSA-N
MW501.61 g/mol
LogP1.29
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide

2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 23645564) has the molecular formula C19H23N3O7S3 and a molecular weight of 501.61 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID23645564
Molecular FormulaC19H23N3O7S3
Molecular Weight501.61 g/mol
Exact Mass501.07
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOc1ccc(N2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1OC
InChIInChI=1S/C19H23N3O7S3/c1-27-16-4-3-14(11-17(16)28-2)22-15(12-21-5-7-29-8-6-21)9-13-10-18(31(20,23)24)30-19(13)32(22,25)26/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,23,24)
InChIKeyBWXPYQBMTBKNFK-UHFFFAOYSA-N
XLogP1.29
TPSA128.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide with MolForge

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Related Compounds

Al7089a
CID 3013848
AL6528
CID 1514
AL7182
CID 1604
Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]
CID 4369171
Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]
CID 4369172
AL7099A
CID 4369101
2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 28
CID 23645562
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980787
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366265
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 7771999
N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24818113

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide (CID 23645564) is 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide is COc1ccc(N2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is BWXPYQBMTBKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S3/c1-27-16-4-3-14(11-17(16)28-2)22-15(12-21-5-7-29-8-6-21)9-13-10-18(31(20,23)24)30-19(13)32(22,25)26/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,23,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 501.61 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 23645564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).