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

C20H24ClNOS — CID 24840338

IUPAC4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(c1)Sc1ccccc1C2CCCN1CCOCC1
InChIInChI=1S/C20H23NOS.ClH/c1-3-9-19-17(6-1)16(18-7-2-4-10-20(18)23-19)8-5-11-21-12-14-22-15-13-21;/h1-4,6-7,9-10,16H,5,8,11-15H2;1H
InChIKeyYCRZGNDHKOPWPJ-UHFFFAOYSA-N
MW361.94 g/mol
LogP4.82
Rot. Bonds4

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

4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride (PubChem CID 24840338) has the molecular formula C20H24ClNOS and a molecular weight of 361.94 g/mol. Its IUPAC name is 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
PubChem CID24840338
Molecular FormulaC20H24ClNOS
Molecular Weight361.94 g/mol
Exact Mass361.13
IUPAC Name4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(c1)Sc1ccccc1C2CCCN1CCOCC1
InChIInChI=1S/C20H23NOS.ClH/c1-3-9-19-17(6-1)16(18-7-2-4-10-20(18)23-19)8-5-11-21-12-14-22-15-13-21;/h1-4,6-7,9-10,16H,5,8,11-15H2;1H
InChIKeyYCRZGNDHKOPWPJ-UHFFFAOYSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Metixene
CID 4167
Pimethixene
CID 4822
Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride, hydrate (1:1:1)
CID 71177
Metixene Hydrochloride
CID 64722
4-Piperidinol, 4-(1,1-dimethylethyl)-1-(9H-thioxanthen-9-ylmethyl)-, hydrochloride
CID 3053250
4-Methyl-1-(3-thioxanthen-9-ylidenepropyl)piperidine
CID 44310664
(3S)-1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
CID 6604302
2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl 2-(phenylsulfanyl)ethyl ether
CID 1825666
(R)-Methixene
CID 44163540
9-(1-Methylpiperidin-4-ylidene)-10lambda~4~-thioxanthen-10(9H)-one
CID 67565
Piperidine, 1-methyl-3-(thioxanthen-9-ylidenemethyl)-, hydrochloride
CID 107391
1-Piperazineethanol, 4-(3-(thioxanthen-9-ylidene)propyl)-, dihydrochloride
CID 115963

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride (CID 24840338) is 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride is Cl.c1ccc2c(c1)Sc1ccccc1C2CCCN1CCOCC1.
What is the InChIKey of 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The InChIKey is YCRZGNDHKOPWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS.ClH/c1-3-9-19-17(6-1)16(18-7-2-4-10-20(18)23-19)8-5-11-21-12-14-22-15-13-21;/h1-4,6-7,9-10,16H,5,8,11-15H2;1H.
What are the key properties of 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride has a molecular weight of 361.94 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride is sourced from PubChem (CID 24840338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).