7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine

C13H19NS — CID 165470575

IUPAC7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
SMILESCC1(C2CCCC2)NCCc2ccsc21
InChIInChI=1S/C13H19NS/c1-13(11-4-2-3-5-11)12-10(6-8-14-13)7-9-15-12/h7,9,11,14H,2-6,8H2,1H3
InChIKeyYVRROGXXSPUCMV-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.30
Rot. Bonds1

About 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine

7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 165470575) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID165470575
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
SMILESCC1(C2CCCC2)NCCc2ccsc21
InChIInChI=1S/C13H19NS/c1-13(11-4-2-3-5-11)12-10(6-8-14-13)7-9-15-12/h7,9,11,14H,2-6,8H2,1H3
InChIKeyYVRROGXXSPUCMV-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine (CID 165470575) is 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine is CC1(C2CCCC2)NCCc2ccsc21.
What is the InChIKey of 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is YVRROGXXSPUCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-13(11-4-2-3-5-11)12-10(6-8-14-13)7-9-15-12/h7,9,11,14H,2-6,8H2,1H3.
What are the key properties of 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 221.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 165470575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).