2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide

C10H15NO2S2 — CID 58180608

IUPAC2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
SMILESCC(C)(C)c1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C10H15NO2S2/c1-10(2,3)9-11-7-4-5-15(12,13)6-8(7)14-9/h4-6H2,1-3H3
InChIKeyRUXMQAPPGJHEIJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.91
Rot. Bonds

About 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide

2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide (PubChem CID 58180608) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide.

Molecular Properties

Compound Name2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
PubChem CID58180608
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
SMILESCC(C)(C)c1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C10H15NO2S2/c1-10(2,3)9-11-7-4-5-15(12,13)6-8(7)14-9/h4-6H2,1-3H3
InChIKeyRUXMQAPPGJHEIJ-UHFFFAOYSA-N
XLogP1.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-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-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
The IUPAC name of 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide (CID 58180608) is 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide.
What is the SMILES notation for 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
The canonical SMILES for 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide is CC(C)(C)c1nc2c(s1)CS(=O)(=O)CC2.
What is the InChIKey of 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
The InChIKey is RUXMQAPPGJHEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-10(2,3)9-11-7-4-5-15(12,13)6-8(7)14-9/h4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide?
2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide has a molecular weight of 245.37 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide is sourced from PubChem (CID 58180608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).