1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole

C8H15NS — CID 18684724

IUPAC1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
SMILESCC1CC2CSCC2N1C
InChIInChI=1S/C8H15NS/c1-6-3-7-4-10-5-8(7)9(6)2/h6-8H,3-5H2,1-2H3
InChIKeyUERAZZJYRXZDTH-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.44
Rot. Bonds

About 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole

1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole (PubChem CID 18684724) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole.

Molecular Properties

Compound Name1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
PubChem CID18684724
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
SMILESCC1CC2CSCC2N1C
InChIInChI=1S/C8H15NS/c1-6-3-7-4-10-5-8(7)9(6)2/h6-8H,3-5H2,1-2H3
InChIKeyUERAZZJYRXZDTH-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The IUPAC name of 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole (CID 18684724) is 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole.
What is the SMILES notation for 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The canonical SMILES for 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole is CC1CC2CSCC2N1C.
What is the InChIKey of 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The InChIKey is UERAZZJYRXZDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-3-7-4-10-5-8(7)9(6)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole has a molecular weight of 157.28 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole is sourced from PubChem (CID 18684724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).