5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole

C9H17NS — CID 169244946

IUPAC5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
SMILESCC(C)N1CC2CSCC2C1
InChIInChI=1S/C9H17NS/c1-7(2)10-3-8-5-11-6-9(8)4-10/h7-9H,3-6H2,1-2H3
InChIKeyZGYSWYWEHZJXLY-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.69
Rot. Bonds1

About 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole

5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole (PubChem CID 169244946) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole.

Molecular Properties

Compound Name5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
PubChem CID169244946
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
SMILESCC(C)N1CC2CSCC2C1
InChIInChI=1S/C9H17NS/c1-7(2)10-3-8-5-11-6-9(8)4-10/h7-9H,3-6H2,1-2H3
InChIKeyZGYSWYWEHZJXLY-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

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CID 89279389
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5-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The IUPAC name of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole (CID 169244946) is 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole.
What is the SMILES notation for 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The canonical SMILES for 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole is CC(C)N1CC2CSCC2C1.
What is the InChIKey of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The InChIKey is ZGYSWYWEHZJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)10-3-8-5-11-6-9(8)4-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole has a molecular weight of 171.31 g/mol, XLogP of 1.69, 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-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole is sourced from PubChem (CID 169244946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).