3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]

C13H19NS — CID 165470492

IUPAC3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]
SMILESCC(C)C1CC2(C1)NCCc1ccsc12
InChIInChI=1S/C13H19NS/c1-9(2)11-7-13(8-11)12-10(3-5-14-13)4-6-15-12/h4,6,9,11,14H,3,5,7-8H2,1-2H3
InChIKeyHOIBTCIIDWIOTJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.16
Rot. Bonds1

About 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]

3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane] (PubChem CID 165470492) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane].

Molecular Properties

Compound Name3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]
PubChem CID165470492
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]
SMILESCC(C)C1CC2(C1)NCCc1ccsc12
InChIInChI=1S/C13H19NS/c1-9(2)11-7-13(8-11)12-10(3-5-14-13)4-6-15-12/h4,6,9,11,14H,3,5,7-8H2,1-2H3
InChIKeyHOIBTCIIDWIOTJ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]?
The IUPAC name of 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane] (CID 165470492) is 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane].
What is the SMILES notation for 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]?
The canonical SMILES for 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane] is CC(C)C1CC2(C1)NCCc1ccsc12.
What is the InChIKey of 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]?
The InChIKey is HOIBTCIIDWIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9(2)11-7-13(8-11)12-10(3-5-14-13)4-6-15-12/h4,6,9,11,14H,3,5,7-8H2,1-2H3.
What are the key properties of 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]?
3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane] has a molecular weight of 221.37 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane] is sourced from PubChem (CID 165470492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).