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

C12H17NS — CID 130888121

IUPAC3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane]
SMILESCC1CCC2(C1)NCCc1sccc12
InChIInChI=1S/C12H17NS/c1-9-2-5-12(8-9)10-4-7-14-11(10)3-6-13-12/h4,7,9,13H,2-3,5-6,8H2,1H3
InChIKeyLGXIAIOMWJNHDH-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.91
Rot. Bonds

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

3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane] (PubChem CID 130888121) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane].

Molecular Properties

Compound Name3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane]
PubChem CID130888121
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane]
SMILESCC1CCC2(C1)NCCc1sccc12
InChIInChI=1S/C12H17NS/c1-9-2-5-12(8-9)10-4-7-14-11(10)3-6-13-12/h4,7,9,13H,2-3,5-6,8H2,1H3
InChIKeyLGXIAIOMWJNHDH-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'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane] with MolForge

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Related Compounds

3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]
CID 165478749
3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]
CID 130794942
(4S)-4-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-ol
CID 139400797
4-cyclohexyl-4-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridine
CID 165478766
8-methyl-1-azaspiro[4.5]decan-4-one
CID 83826980
4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
CID 176611134
3'-propan-2-ylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclobutane]
CID 165470492
(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
CID 39902695
4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
CID 176926906
3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9320549
2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]
CID 62841110
9-methyl-1,4-diazaspiro[5.5]undecan-5-one
CID 54773629

Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane]?
The IUPAC name of 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane] (CID 130888121) is 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane].
What is the SMILES notation for 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane]?
The canonical SMILES for 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane] is CC1CCC2(C1)NCCc1sccc12.
What is the InChIKey of 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane]?
The InChIKey is LGXIAIOMWJNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-2-5-12(8-9)10-4-7-14-11(10)3-6-13-12/h4,7,9,13H,2-3,5-6,8H2,1H3.
What are the key properties of 3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane]?
3'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane] 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'-methylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclopentane] is sourced from PubChem (CID 130888121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).