1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]

C11H16N2S — CID 96615704

IUPAC1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]
SMILESCN1CCC2(CC1)CNc1sccc12
InChIInChI=1S/C11H16N2S/c1-13-5-3-11(4-6-13)8-12-10-9(11)2-7-14-10/h2,7,12H,3-6,8H2,1H3
InChIKeyWXUYGJOBVNWHIR-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.14
Rot. Bonds

About 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]

1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine] (PubChem CID 96615704) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine].

Molecular Properties

Compound Name1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]
PubChem CID96615704
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]
SMILESCN1CCC2(CC1)CNc1sccc12
InChIInChI=1S/C11H16N2S/c1-13-5-3-11(4-6-13)8-12-10-9(11)2-7-14-10/h2,7,12H,3-6,8H2,1H3
InChIKeyWXUYGJOBVNWHIR-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]?
The IUPAC name of 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine] (CID 96615704) is 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine].
What is the SMILES notation for 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]?
The canonical SMILES for 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine] is CN1CCC2(CC1)CNc1sccc12.
What is the InChIKey of 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]?
The InChIKey is WXUYGJOBVNWHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-13-5-3-11(4-6-13)8-12-10-9(11)2-7-14-10/h2,7,12H,3-6,8H2,1H3.
What are the key properties of 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine]?
1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine] has a molecular weight of 208.33 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-piperidine] is sourced from PubChem (CID 96615704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).