2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide

C10H17NO2S2 — CID 70333176

IUPAC2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide
SMILESCC(C)CN1CCC2SC=CC2S1(=O)=O
InChIInChI=1S/C10H17NO2S2/c1-8(2)7-11-5-3-9-10(4-6-14-9)15(11,12)13/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeySRMSVYDJXBYSSW-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.68
Rot. Bonds2

About 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide

2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide (PubChem CID 70333176) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide
PubChem CID70333176
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC Name2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide
SMILESCC(C)CN1CCC2SC=CC2S1(=O)=O
InChIInChI=1S/C10H17NO2S2/c1-8(2)7-11-5-3-9-10(4-6-14-9)15(11,12)13/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeySRMSVYDJXBYSSW-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide 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-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide?
The IUPAC name of 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide (CID 70333176) is 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide.
What is the SMILES notation for 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide?
The canonical SMILES for 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide is CC(C)CN1CCC2SC=CC2S1(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide?
The InChIKey is SRMSVYDJXBYSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-8(2)7-11-5-3-9-10(4-6-14-9)15(11,12)13/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide?
2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide has a molecular weight of 247.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3,4,4a,7a-tetrahydrothieno[2,3-e]thiazine 1,1-dioxide is sourced from PubChem (CID 70333176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).