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

C12H17N3O5S3 — CID 19434103

IUPAC2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide
SMILESCN1C(CN2CCOCC2)=Cc2sc(S(N)(=O)=O)cc2S1(=O)=O
InChIInChI=1S/C12H17N3O5S3/c1-14-9(8-15-2-4-20-5-3-15)6-10-11(23(14,18)19)7-12(21-10)22(13,16)17/h6-7H,2-5,8H2,1H3,(H2,13,16,17)
InChIKeyROAMQROZNBSUQS-UHFFFAOYSA-N
MW379.49 g/mol
LogP-0.30
Rot. Bonds3

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

2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide (PubChem CID 19434103) has the molecular formula C12H17N3O5S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide
PubChem CID19434103
Molecular FormulaC12H17N3O5S3
Molecular Weight379.49 g/mol
Exact Mass379.03
IUPAC Name2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide
SMILESCN1C(CN2CCOCC2)=Cc2sc(S(N)(=O)=O)cc2S1(=O)=O
InChIInChI=1S/C12H17N3O5S3/c1-14-9(8-15-2-4-20-5-3-15)6-10-11(23(14,18)19)7-12(21-10)22(13,16)17/h6-7H,2-5,8H2,1H3,(H2,13,16,17)
InChIKeyROAMQROZNBSUQS-UHFFFAOYSA-N
XLogP-0.30
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide?
The IUPAC name of 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide (CID 19434103) is 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide.
What is the SMILES notation for 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide?
The canonical SMILES for 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide is CN1C(CN2CCOCC2)=Cc2sc(S(N)(=O)=O)cc2S1(=O)=O.
What is the InChIKey of 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide?
The InChIKey is ROAMQROZNBSUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S3/c1-14-9(8-15-2-4-20-5-3-15)6-10-11(23(14,18)19)7-12(21-10)22(13,16)17/h6-7H,2-5,8H2,1H3,(H2,13,16,17).
What are the key properties of 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide?
2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[2,3-e]thiazine-6-sulfonamide is sourced from PubChem (CID 19434103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).