3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole

C8H13NS — CID 163448647

IUPAC3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole
SMILESCC1=CC2(C)CCSC2N1
InChIInChI=1S/C8H13NS/c1-6-5-8(2)3-4-10-7(8)9-6/h5,7,9H,3-4H2,1-2H3
InChIKeyBERTXNJCPFELSG-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.96
Rot. Bonds

About 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole

3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole (PubChem CID 163448647) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole.

Molecular Properties

Compound Name3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole
PubChem CID163448647
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole
SMILESCC1=CC2(C)CCSC2N1
InChIInChI=1S/C8H13NS/c1-6-5-8(2)3-4-10-7(8)9-6/h5,7,9H,3-4H2,1-2H3
InChIKeyBERTXNJCPFELSG-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole?
The IUPAC name of 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole (CID 163448647) is 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole.
What is the SMILES notation for 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole?
The canonical SMILES for 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole is CC1=CC2(C)CCSC2N1.
What is the InChIKey of 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole?
The InChIKey is BERTXNJCPFELSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-5-8(2)3-4-10-7(8)9-6/h5,7,9H,3-4H2,1-2H3.
What are the key properties of 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole?
3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole has a molecular weight of 155.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5-dimethyl-2,3,6,6a-tetrahydrothieno[2,3-b]pyrrole is sourced from PubChem (CID 163448647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).