5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole

C7H13NS — CID 76646855

IUPAC5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
SMILESCN1CC2CSCC2C1
InChIInChI=1S/C7H13NS/c1-8-2-6-4-9-5-7(6)3-8/h6-7H,2-5H2,1H3
InChIKeyYOQFHAFLENPCEK-UHFFFAOYSA-N
MW143.25 g/mol
LogP0.91
Rot. Bonds

About 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole

5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole (PubChem CID 76646855) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole.

Molecular Properties

Compound Name5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
PubChem CID76646855
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
SMILESCN1CC2CSCC2C1
InChIInChI=1S/C7H13NS/c1-8-2-6-4-9-5-7(6)3-8/h6-7H,2-5H2,1H3
InChIKeyYOQFHAFLENPCEK-UHFFFAOYSA-N
XLogP0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The IUPAC name of 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole (CID 76646855) is 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole.
What is the SMILES notation for 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The canonical SMILES for 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole is CN1CC2CSCC2C1.
What is the InChIKey of 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The InChIKey is YOQFHAFLENPCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-8-2-6-4-9-5-7(6)3-8/h6-7H,2-5H2,1H3.
What are the key properties of 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole has a molecular weight of 143.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole is sourced from PubChem (CID 76646855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).