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

C21H22N2O2S — CID 986830

IUPACmorpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione
SMILESS=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H22N2O2S/c26-21(22-10-13-24-14-11-22)19-16-23(20-9-5-4-8-18(19)20)12-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyGPXCSBAHAMMVSR-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.73
Rot. Bonds5

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

morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione (PubChem CID 986830) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione
PubChem CID986830
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Namemorpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione
SMILESS=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H22N2O2S/c26-21(22-10-13-24-14-11-22)19-16-23(20-9-5-4-8-18(19)20)12-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyGPXCSBAHAMMVSR-UHFFFAOYSA-N
XLogP3.73
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione?
The IUPAC name of morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione (CID 986830) is morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione.
What is the SMILES notation for morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione?
The canonical SMILES for morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione is S=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione?
The InChIKey is GPXCSBAHAMMVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c26-21(22-10-13-24-14-11-22)19-16-23(20-9-5-4-8-18(19)20)12-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2.
What are the key properties of morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione?
morpholin-4-yl-[1-(2-phenoxyethyl)indol-3-yl]methanethione has a molecular weight of 366.49 g/mol, XLogP of 3.73, 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-phenoxyethyl)indol-3-yl]methanethione is sourced from PubChem (CID 986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).