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

C12H17NS — CID 130794942

IUPAC3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]
SMILESCC1(C)CC2(C1)NCCc1sccc12
InChIInChI=1S/C12H17NS/c1-11(2)7-12(8-11)9-4-6-14-10(9)3-5-13-12/h4,6,13H,3,5,7-8H2,1-2H3
InChIKeySXTZMYWXXQVFNN-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.91
Rot. Bonds

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

3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane] (PubChem CID 130794942) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane].

Molecular Properties

Compound Name3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]
PubChem CID130794942
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]
SMILESCC1(C)CC2(C1)NCCc1sccc12
InChIInChI=1S/C12H17NS/c1-11(2)7-12(8-11)9-4-6-14-10(9)3-5-13-12/h4,6,13H,3,5,7-8H2,1-2H3
InChIKeySXTZMYWXXQVFNN-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]?
The IUPAC name of 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane] (CID 130794942) is 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane].
What is the SMILES notation for 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]?
The canonical SMILES for 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane] is CC1(C)CC2(C1)NCCc1sccc12.
What is the InChIKey of 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]?
The InChIKey is SXTZMYWXXQVFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-11(2)7-12(8-11)9-4-6-14-10(9)3-5-13-12/h4,6,13H,3,5,7-8H2,1-2H3.
What are the key properties of 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]?
3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane] has a molecular weight of 207.34 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane] is sourced from PubChem (CID 130794942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).