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

C19H23N3O6S3 — CID 19434023

IUPAC2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOc1ccc(CN2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1
InChIInChI=1S/C19H23N3O6S3/c1-27-17-4-2-14(3-5-17)12-22-16(13-21-6-8-28-9-7-21)10-15-11-18(30(20,23)24)29-19(15)31(22,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,20,23,24)
InChIKeyKXCBICPXDWRGSX-UHFFFAOYSA-N
MW485.61 g/mol
LogP1.28
Rot. Bonds6

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

2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 19434023) has the molecular formula C19H23N3O6S3 and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID19434023
Molecular FormulaC19H23N3O6S3
Molecular Weight485.61 g/mol
Exact Mass485.07
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOc1ccc(CN2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1
InChIInChI=1S/C19H23N3O6S3/c1-27-17-4-2-14(3-5-17)12-22-16(13-21-6-8-28-9-7-21)10-15-11-18(30(20,23)24)29-19(15)31(22,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,20,23,24)
InChIKeyKXCBICPXDWRGSX-UHFFFAOYSA-N
XLogP1.28
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide (CID 19434023) is 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide is COc1ccc(CN2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is KXCBICPXDWRGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S3/c1-27-17-4-2-14(3-5-17)12-22-16(13-21-6-8-28-9-7-21)10-15-11-18(30(20,23)24)29-19(15)31(22,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,20,23,24).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 485.61 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 19434023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).