5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C16H24N2S — CID 66208507

IUPAC5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C(c1cccs1)C1CC1
InChIInChI=1S/C16H24N2S/c1-2-14-13-9-17-8-12(13)10-18(14)16(11-5-6-11)15-4-3-7-19-15/h3-4,7,11-14,16-17H,2,5-6,8-10H2,1H3
InChIKeyVYZRCAMGQPXKPY-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.13
Rot. Bonds4

About 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66208507) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66208507
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C(c1cccs1)C1CC1
InChIInChI=1S/C16H24N2S/c1-2-14-13-9-17-8-12(13)10-18(14)16(11-5-6-11)15-4-3-7-19-15/h3-4,7,11-14,16-17H,2,5-6,8-10H2,1H3
InChIKeyVYZRCAMGQPXKPY-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66208507) is 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1C(c1cccs1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is VYZRCAMGQPXKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-2-14-13-9-17-8-12(13)10-18(14)16(11-5-6-11)15-4-3-7-19-15/h3-4,7,11-14,16-17H,2,5-6,8-10H2,1H3.
What are the key properties of 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 276.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(thiophen-2-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66208507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).