3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]

C13H19NS — CID 165478749

IUPAC3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]
SMILESCC1CCCC2(C1)NCCc1ccsc12
InChIInChI=1S/C13H19NS/c1-10-3-2-6-13(9-10)12-11(4-7-14-13)5-8-15-12/h5,8,10,14H,2-4,6-7,9H2,1H3
InChIKeyDJEOIRIGBUDXIO-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.30
Rot. Bonds

About 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]

3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane] (PubChem CID 165478749) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane].

Molecular Properties

Compound Name3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]
PubChem CID165478749
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]
SMILESCC1CCCC2(C1)NCCc1ccsc12
InChIInChI=1S/C13H19NS/c1-10-3-2-6-13(9-10)12-11(4-7-14-13)5-8-15-12/h5,8,10,14H,2-4,6-7,9H2,1H3
InChIKeyDJEOIRIGBUDXIO-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]?
The IUPAC name of 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane] (CID 165478749) is 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane].
What is the SMILES notation for 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]?
The canonical SMILES for 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane] is CC1CCCC2(C1)NCCc1ccsc12.
What is the InChIKey of 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]?
The InChIKey is DJEOIRIGBUDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-3-2-6-13(9-10)12-11(4-7-14-13)5-8-15-12/h5,8,10,14H,2-4,6-7,9H2,1H3.
What are the key properties of 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]?
3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane] has a molecular weight of 221.37 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane] is sourced from PubChem (CID 165478749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).