2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide

C9H17NO2S2 — CID 66228290

IUPAC2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide
SMILESCC1(C)CSC2CS(=O)(=O)CCC2N1
InChIInChI=1S/C9H17NO2S2/c1-9(2)6-13-8-5-14(11,12)4-3-7(8)10-9/h7-8,10H,3-6H2,1-2H3
InChIKeyCVJFCRHCLIVWSN-UHFFFAOYSA-N
MW235.37 g/mol
LogP0.66
Rot. Bonds

About 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide

2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide (PubChem CID 66228290) has the molecular formula C9H17NO2S2 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide
PubChem CID66228290
Molecular FormulaC9H17NO2S2
Molecular Weight235.37 g/mol
Exact Mass235.07
IUPAC Name2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide
SMILESCC1(C)CSC2CS(=O)(=O)CCC2N1
InChIInChI=1S/C9H17NO2S2/c1-9(2)6-13-8-5-14(11,12)4-3-7(8)10-9/h7-8,10H,3-6H2,1-2H3
InChIKeyCVJFCRHCLIVWSN-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide?
The IUPAC name of 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide (CID 66228290) is 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide.
What is the SMILES notation for 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide?
The canonical SMILES for 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide is CC1(C)CSC2CS(=O)(=O)CCC2N1.
What is the InChIKey of 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide?
The InChIKey is CVJFCRHCLIVWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S2/c1-9(2)6-13-8-5-14(11,12)4-3-7(8)10-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide?
2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide has a molecular weight of 235.37 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide is sourced from PubChem (CID 66228290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).