1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide

C9H13NOS2 — CID 21300131

IUPAC1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide
SMILESCN1Cc2cscc2C(C)(C)S1=O
InChIInChI=1S/C9H13NOS2/c1-9(2)8-6-12-5-7(8)4-10(3)13(9)11/h5-6H,4H2,1-3H3
InChIKeyQLEQEKALGGWBIY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds

About 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide

1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide (PubChem CID 21300131) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide.

Molecular Properties

Compound Name1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide
PubChem CID21300131
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide
SMILESCN1Cc2cscc2C(C)(C)S1=O
InChIInChI=1S/C9H13NOS2/c1-9(2)8-6-12-5-7(8)4-10(3)13(9)11/h5-6H,4H2,1-3H3
InChIKeyQLEQEKALGGWBIY-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide
CID 21300248
4,4,5-trimethylthieno[3,4-c]pyrrol-6-one
CID 21300250
1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide
CID 21300260
3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
CID 66751796
3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole
CID 14128508
(1S,9S)-14,14-dimethyl-4-thia-8-azatetracyclo[7.4.1.01,9.02,6]tetradeca-2,5,12-trien-11-one
CID 139492537
2-methyl-1-methylidene-3H-1,2-benzothiazole
CID 87152546
2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol
CID 130640043
5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
CID 14128511
2-(4-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-yl)acetic acid
CID 83908156
(5E)-5-(hydroxymethylidene)-1-methyl-6,7-dihydroindazol-4-one
CID 13303059
4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol
CID 82398681

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide?
The IUPAC name of 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide (CID 21300131) is 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide.
What is the SMILES notation for 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide?
The canonical SMILES for 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide is CN1Cc2cscc2C(C)(C)S1=O.
What is the InChIKey of 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide?
The InChIKey is QLEQEKALGGWBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-9(2)8-6-12-5-7(8)4-10(3)13(9)11/h5-6H,4H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide?
1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-4H-thieno[3,4-d]thiazine 2-oxide is sourced from PubChem (CID 21300131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).