4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride

C21H26ClNO2S — CID 24840289

IUPAC4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
SMILESCOc1ccc2c(c1)C(CCCN1CCOCC1)c1ccccc1S2.Cl
InChIInChI=1S/C21H25NO2S.ClH/c1-23-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)25-21)6-4-10-22-11-13-24-14-12-22;/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3;1H
InChIKeyUCQOXBULNLVXFQ-UHFFFAOYSA-N
MW391.96 g/mol
LogP4.83
Rot. Bonds5

About 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride

4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride (PubChem CID 24840289) has the molecular formula C21H26ClNO2S and a molecular weight of 391.96 g/mol. Its IUPAC name is 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
PubChem CID24840289
Molecular FormulaC21H26ClNO2S
Molecular Weight391.96 g/mol
Exact Mass391.14
IUPAC Name4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
SMILESCOc1ccc2c(c1)C(CCCN1CCOCC1)c1ccccc1S2.Cl
InChIInChI=1S/C21H25NO2S.ClH/c1-23-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)25-21)6-4-10-22-11-13-24-14-12-22;/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3;1H
InChIKeyUCQOXBULNLVXFQ-UHFFFAOYSA-N
XLogP4.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.96
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidine, 4-(6-ethoxy-1-methoxy-9H-thioxanthen-9-ylidene)-1-methyl-
CID 10287037
Meprotixol
CID 71195
2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one
CID 162524846
1-[2-[4-[5-Methoxy-2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]piperidine
CID 44601949
2-[(9S)-7-methoxy-9-(methoxymethyl)-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
CID 162664482
2-(7'-Methoxyspiro[oxane-4,9'-thioxanthene]-4'-yl)-6-morpholin-4-ylpyran-4-one
CID 162665529
2-[(9R)-7-methoxy-9-(methoxymethyl)-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
CID 162672918
2-(7-Methoxy-9,9-dimethylthioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one
CID 162676566
4-(4-Fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
CID 23723150
Thioxanthene, 2-methoxy-9-(3-(dimethylamino)propylidene)-, hydrochloride, (E)-
CID 6446686
1-Piperidineethanol, alpha-(((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)methyl)-4-phenyl-
CID 3073934
Thioxanthen-9-ol, 2-(benzyloxy)-9-(3-(dimethylamino)propyl)-
CID 214057

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride (CID 24840289) is 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride is COc1ccc2c(c1)C(CCCN1CCOCC1)c1ccccc1S2.Cl.
What is the InChIKey of 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The InChIKey is UCQOXBULNLVXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S.ClH/c1-23-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)25-21)6-4-10-22-11-13-24-14-12-22;/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3;1H.
What are the key properties of 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride has a molecular weight of 391.96 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride is sourced from PubChem (CID 24840289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).