7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide

C8H14O3S — CID 58271293

IUPAC7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide
SMILESCC1COCC2CS(=O)(=O)CC12
InChIInChI=1S/C8H14O3S/c1-6-2-11-3-7-4-12(9,10)5-8(6)7/h6-8H,2-5H2,1H3
InChIKeyNBALWEGRZAEPKL-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.31
Rot. Bonds

About 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide

7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide (PubChem CID 58271293) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide.

Molecular Properties

Compound Name7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide
PubChem CID58271293
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide
SMILESCC1COCC2CS(=O)(=O)CC12
InChIInChI=1S/C8H14O3S/c1-6-2-11-3-7-4-12(9,10)5-8(6)7/h6-8H,2-5H2,1H3
InChIKeyNBALWEGRZAEPKL-UHFFFAOYSA-N
XLogP0.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide?
The IUPAC name of 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide (CID 58271293) is 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide.
What is the SMILES notation for 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide?
The canonical SMILES for 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide is CC1COCC2CS(=O)(=O)CC12.
What is the InChIKey of 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide?
The InChIKey is NBALWEGRZAEPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-6-2-11-3-7-4-12(9,10)5-8(6)7/h6-8H,2-5H2,1H3.
What are the key properties of 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide?
7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide has a molecular weight of 190.26 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide is sourced from PubChem (CID 58271293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).