3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole

C10H15NS — CID 171466097

IUPAC3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESCC(C)(C)c1csc2c1CCN2
InChIInChI=1S/C10H15NS/c1-10(2,3)8-6-12-9-7(8)4-5-11-9/h6,11H,4-5H2,1-3H3
InChIKeyKYHDZKSSLHJSRF-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.01
Rot. Bonds

About 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole

3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole (PubChem CID 171466097) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
PubChem CID171466097
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESCC(C)(C)c1csc2c1CCN2
InChIInChI=1S/C10H15NS/c1-10(2,3)8-6-12-9-7(8)4-5-11-9/h6,11H,4-5H2,1-3H3
InChIKeyKYHDZKSSLHJSRF-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The IUPAC name of 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole (CID 171466097) is 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The canonical SMILES for 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole is CC(C)(C)c1csc2c1CCN2.
What is the InChIKey of 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The InChIKey is KYHDZKSSLHJSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-10(2,3)8-6-12-9-7(8)4-5-11-9/h6,11H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole has a molecular weight of 181.30 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dihydro-4H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 171466097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).