6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]

C18H21NOS — CID 112513047

IUPAC6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
SMILESCOc1ccc2c(c1)C1(CCCC1)CNC2c1cccs1
InChIInChI=1S/C18H21NOS/c1-20-13-6-7-14-15(11-13)18(8-2-3-9-18)12-19-17(14)16-5-4-10-21-16/h4-7,10-11,17,19H,2-3,8-9,12H2,1H3
InChIKeyBJTYSWLIYDNXMD-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.26
Rot. Bonds2

About 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]

6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] (PubChem CID 112513047) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane].

Molecular Properties

Compound Name6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
PubChem CID112513047
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
SMILESCOc1ccc2c(c1)C1(CCCC1)CNC2c1cccs1
InChIInChI=1S/C18H21NOS/c1-20-13-6-7-14-15(11-13)18(8-2-3-9-18)12-19-17(14)16-5-4-10-21-16/h4-7,10-11,17,19H,2-3,8-9,12H2,1H3
InChIKeyBJTYSWLIYDNXMD-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] with MolForge

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Related Compounds

6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513028
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 82304474
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513064
(1S)-6,7-dimethoxy-1-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 749901
1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
CID 154098192
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112511948
(1S,2R)-6-methoxy-1'-(1,3-thiazol-2-yl)-1-thiophen-2-ylspiro[1,3-dihydroindene-2,3'-aziridine]-2'-one
CID 89152506
(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
CID 125485645
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride
CID 21436274

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
The IUPAC name of 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] (CID 112513047) is 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane].
What is the SMILES notation for 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
The canonical SMILES for 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] is COc1ccc2c(c1)C1(CCCC1)CNC2c1cccs1.
What is the InChIKey of 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
The InChIKey is BJTYSWLIYDNXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-20-13-6-7-14-15(11-13)18(8-2-3-9-18)12-19-17(14)16-5-4-10-21-16/h4-7,10-11,17,19H,2-3,8-9,12H2,1H3.
What are the key properties of 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] has a molecular weight of 299.44 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] is sourced from PubChem (CID 112513047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).