5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole

C9H17NS — CID 139359325

IUPAC5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole
SMILESCC(C)N1CC2CCSC2C1
InChIInChI=1S/C9H17NS/c1-7(2)10-5-8-3-4-11-9(8)6-10/h7-9H,3-6H2,1-2H3
InChIKeyKTAZURWWYGCCLC-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.83
Rot. Bonds1

About 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole

5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole (PubChem CID 139359325) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole.

Molecular Properties

Compound Name5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole
PubChem CID139359325
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole
SMILESCC(C)N1CC2CCSC2C1
InChIInChI=1S/C9H17NS/c1-7(2)10-5-8-3-4-11-9(8)6-10/h7-9H,3-6H2,1-2H3
InChIKeyKTAZURWWYGCCLC-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole?
The IUPAC name of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole (CID 139359325) is 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole.
What is the SMILES notation for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole?
The canonical SMILES for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole is CC(C)N1CC2CCSC2C1.
What is the InChIKey of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole?
The InChIKey is KTAZURWWYGCCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)10-5-8-3-4-11-9(8)6-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole?
5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole has a molecular weight of 171.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole is sourced from PubChem (CID 139359325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).