2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole

C7H11NS — CID 67967752

IUPAC2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
SMILESCC1=CC2CNCC2S1
InChIInChI=1S/C7H11NS/c1-5-2-6-3-8-4-7(6)9-5/h2,6-8H,3-4H2,1H3
InChIKeyYOUJFOGMLHDMHB-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.23
Rot. Bonds

About 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole

2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole (PubChem CID 67967752) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole.

Molecular Properties

Compound Name2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
PubChem CID67967752
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
SMILESCC1=CC2CNCC2S1
InChIInChI=1S/C7H11NS/c1-5-2-6-3-8-4-7(6)9-5/h2,6-8H,3-4H2,1H3
InChIKeyYOUJFOGMLHDMHB-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
The IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole (CID 67967752) is 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole.
What is the SMILES notation for 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
The canonical SMILES for 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole is CC1=CC2CNCC2S1.
What is the InChIKey of 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
The InChIKey is YOUJFOGMLHDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-5-2-6-3-8-4-7(6)9-5/h2,6-8H,3-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole has a molecular weight of 141.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole is sourced from PubChem (CID 67967752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).