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

C9H15NS — CID 58270244

IUPAC2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
SMILESCC(C)C1=CC2CNCC2S1
InChIInChI=1S/C9H15NS/c1-6(2)8-3-7-4-10-5-9(7)11-8/h3,6-7,9-10H,4-5H2,1-2H3
InChIKeyWOTKQCWSNKVSQZ-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.86
Rot. Bonds1

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

2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole (PubChem CID 58270244) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
PubChem CID58270244
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
SMILESCC(C)C1=CC2CNCC2S1
InChIInChI=1S/C9H15NS/c1-6(2)8-3-7-4-10-5-9(7)11-8/h3,6-7,9-10H,4-5H2,1-2H3
InChIKeyWOTKQCWSNKVSQZ-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
The IUPAC name of 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole (CID 58270244) is 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole.
What is the SMILES notation for 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
The canonical SMILES for 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole is CC(C)C1=CC2CNCC2S1.
What is the InChIKey of 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
The InChIKey is WOTKQCWSNKVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-6(2)8-3-7-4-10-5-9(7)11-8/h3,6-7,9-10H,4-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole?
2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole has a molecular weight of 169.29 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole is sourced from PubChem (CID 58270244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).