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

C21H26ClNOS — CID 24840294

IUPAC4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
SMILESCc1ccc2c(c1)C(CCCN1CCOCC1)c1ccccc1S2.Cl
InChIInChI=1S/C21H25NOS.ClH/c1-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)24-21)6-4-10-22-11-13-23-14-12-22;/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3;1H
InChIKeyBKZVCQQJEWQFDZ-UHFFFAOYSA-N
MW375.97 g/mol
LogP5.13
Rot. Bonds4

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

4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride (PubChem CID 24840294) has the molecular formula C21H26ClNOS and a molecular weight of 375.97 g/mol. Its IUPAC name is 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
PubChem CID24840294
Molecular FormulaC21H26ClNOS
Molecular Weight375.97 g/mol
Exact Mass375.14
IUPAC Name4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride
SMILESCc1ccc2c(c1)C(CCCN1CCOCC1)c1ccccc1S2.Cl
InChIInChI=1S/C21H25NOS.ClH/c1-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)24-21)6-4-10-22-11-13-23-14-12-22;/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3;1H
InChIKeyBKZVCQQJEWQFDZ-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.97
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride (CID 24840294) is 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride is Cc1ccc2c(c1)C(CCCN1CCOCC1)c1ccccc1S2.Cl.
What is the InChIKey of 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
The InChIKey is BKZVCQQJEWQFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NOS.ClH/c1-16-8-9-21-19(15-16)17(18-5-2-3-7-20(18)24-21)6-4-10-22-11-13-23-14-12-22;/h2-3,5,7-9,15,17H,4,6,10-14H2,1H3;1H.
What are the key properties of 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride?
4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride has a molecular weight of 375.97 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]morpholine;hydrochloride is sourced from PubChem (CID 24840294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).