morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione

C25H24N2O2S — CID 1284794

IUPACmorpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione
SMILESS=C(c1cn(CCOc2cccc3ccccc23)c2ccccc12)N1CCOCC1
InChIInChI=1S/C25H24N2O2S/c30-25(26-12-15-28-16-13-26)22-18-27(23-10-4-3-9-21(22)23)14-17-29-24-11-5-7-19-6-1-2-8-20(19)24/h1-11,18H,12-17H2
InChIKeyFSVKURGMTIUXSU-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.88
Rot. Bonds5

About morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione

morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione (PubChem CID 1284794) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione
PubChem CID1284794
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Namemorpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione
SMILESS=C(c1cn(CCOc2cccc3ccccc23)c2ccccc12)N1CCOCC1
InChIInChI=1S/C25H24N2O2S/c30-25(26-12-15-28-16-13-26)22-18-27(23-10-4-3-9-21(22)23)14-17-29-24-11-5-7-19-6-1-2-8-20(19)24/h1-11,18H,12-17H2
InChIKeyFSVKURGMTIUXSU-UHFFFAOYSA-N
XLogP4.88
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-[1-[2-(4-fluoro-2-phenylphenoxy)ethyl]piperidin-4-yl]-1H-indole
CID 155517162
Dimethyl-[2-(3-methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethyl]-amine
CID 10244251
8-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 20595541
5-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 44395383
8-[3-(2,3-Dimethylphenoxy)propoxy]quinoline
CID 2283202
[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-ethyl]-amine
CID 9820536
[3-(1H-Indol-3-yl)-propyl]-[2-(naphthalen-1-yloxy)-ethyl]-amine
CID 9862968
3-(1H-indol-3-yl)-N-((4-phenyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)propan-1-amine
CID 9865576
N-((4-benzyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)-3-(1H-indol-3-yl)propan-1-amine
CID 9909555
1-Methyl-2-[2-methyl-4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9925192
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10027638
1-Phenethyl-2-[4-(3-piperidinylpropoxy)phenyl]-indolizine
CID 10114059

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione?
The IUPAC name of morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione (CID 1284794) is morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione.
What is the SMILES notation for morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione?
The canonical SMILES for morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione is S=C(c1cn(CCOc2cccc3ccccc23)c2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione?
The InChIKey is FSVKURGMTIUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c30-25(26-12-15-28-16-13-26)22-18-27(23-10-4-3-9-21(22)23)14-17-29-24-11-5-7-19-6-1-2-8-20(19)24/h1-11,18H,12-17H2.
What are the key properties of morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione?
morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione has a molecular weight of 416.55 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]methanethione is sourced from PubChem (CID 1284794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).