1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine

C11H16N2S — CID 112710151

IUPAC1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine
SMILESCN1CCC(N)C12CCc1sccc12
InChIInChI=1S/C11H16N2S/c1-13-6-3-10(12)11(13)5-2-9-8(11)4-7-14-9/h4,7,10H,2-3,5-6,12H2,1H3
InChIKeyWDGKWORTTFCKIO-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.55
Rot. Bonds

About 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine

1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine (PubChem CID 112710151) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine.

Molecular Properties

Compound Name1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine
PubChem CID112710151
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine
SMILESCN1CCC(N)C12CCc1sccc12
InChIInChI=1S/C11H16N2S/c1-13-6-3-10(12)11(13)5-2-9-8(11)4-7-14-9/h4,7,10H,2-3,5-6,12H2,1H3
InChIKeyWDGKWORTTFCKIO-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 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 ≤ 51.55
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-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine?
The IUPAC name of 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine (CID 112710151) is 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine.
What is the SMILES notation for 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine?
The canonical SMILES for 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine is CN1CCC(N)C12CCc1sccc12.
What is the InChIKey of 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine?
The InChIKey is WDGKWORTTFCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-13-6-3-10(12)11(13)5-2-9-8(11)4-7-14-9/h4,7,10H,2-3,5-6,12H2,1H3.
What are the key properties of 1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine?
1'-methylspiro[5,6-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine has a molecular weight of 208.33 g/mol, XLogP of 1.55, 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-dihydrocyclopenta[b]thiophene-4,2'-pyrrolidine]-3'-amine is sourced from PubChem (CID 112710151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).