4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride

C19H22ClNO2S — CID 12734144

IUPAC4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(c1)Oc1ccccc1C2SCCN1CCOCC1
InChIInChI=1S/C19H21NO2S.ClH/c1-3-7-17-15(5-1)19(16-6-2-4-8-18(16)22-17)23-14-11-20-9-12-21-13-10-20;/h1-8,19H,9-14H2;1H
InChIKeyNKXSHLUGWAWIKC-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.37
Rot. Bonds4

About 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride

4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride (PubChem CID 12734144) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride
PubChem CID12734144
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(c1)Oc1ccccc1C2SCCN1CCOCC1
InChIInChI=1S/C19H21NO2S.ClH/c1-3-7-17-15(5-1)19(16-6-2-4-8-18(16)22-17)23-14-11-20-9-12-21-13-10-20;/h1-8,19H,9-14H2;1H
InChIKeyNKXSHLUGWAWIKC-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride (CID 12734144) is 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride is Cl.c1ccc2c(c1)Oc1ccccc1C2SCCN1CCOCC1.
What is the InChIKey of 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride?
The InChIKey is NKXSHLUGWAWIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S.ClH/c1-3-7-17-15(5-1)19(16-6-2-4-8-18(16)22-17)23-14-11-20-9-12-21-13-10-20;/h1-8,19H,9-14H2;1H.
What are the key properties of 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride?
4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 12734144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).