4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride

C13H20ClNO2S — CID 3042251

IUPAC4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride
SMILESCc1cccc(S(=O)CCN2CCOCC2)c1.Cl
InChIInChI=1S/C13H19NO2S.ClH/c1-12-3-2-4-13(11-12)17(15)10-7-14-5-8-16-9-6-14;/h2-4,11H,5-10H2,1H3;1H
InChIKeyRRPJSKUCRJKORV-UHFFFAOYSA-N
MW289.83 g/mol
LogP1.86
Rot. Bonds4

About 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride

4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride (PubChem CID 3042251) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride
PubChem CID3042251
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride
SMILESCc1cccc(S(=O)CCN2CCOCC2)c1.Cl
InChIInChI=1S/C13H19NO2S.ClH/c1-12-3-2-4-13(11-12)17(15)10-7-14-5-8-16-9-6-14;/h2-4,11H,5-10H2,1H3;1H
InChIKeyRRPJSKUCRJKORV-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride (CID 3042251) is 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride is Cc1cccc(S(=O)CCN2CCOCC2)c1.Cl.
What is the InChIKey of 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride?
The InChIKey is RRPJSKUCRJKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S.ClH/c1-12-3-2-4-13(11-12)17(15)10-7-14-5-8-16-9-6-14;/h2-4,11H,5-10H2,1H3;1H.
What are the key properties of 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride?
4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)sulfinylethyl]morpholine;hydrochloride is sourced from PubChem (CID 3042251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).