4-(4-phenylsulfanylbutyl)morpholine;hydrochloride

C14H22ClNOS — CID 2993739

IUPAC4-(4-phenylsulfanylbutyl)morpholine;hydrochloride
SMILESCl.c1ccc(SCCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NOS.ClH/c1-2-6-14(7-3-1)17-13-5-4-8-15-9-11-16-12-10-15;/h1-3,6-7H,4-5,8-13H2;1H
InChIKeyAEUUTPNSMLFZFA-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.31
Rot. Bonds6

About 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride

4-(4-phenylsulfanylbutyl)morpholine;hydrochloride (PubChem CID 2993739) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(4-phenylsulfanylbutyl)morpholine;hydrochloride
PubChem CID2993739
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name4-(4-phenylsulfanylbutyl)morpholine;hydrochloride
SMILESCl.c1ccc(SCCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NOS.ClH/c1-2-6-14(7-3-1)17-13-5-4-8-15-9-11-16-12-10-15;/h1-3,6-7H,4-5,8-13H2;1H
InChIKeyAEUUTPNSMLFZFA-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
The IUPAC name of 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride (CID 2993739) is 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
The canonical SMILES for 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride is Cl.c1ccc(SCCCCN2CCOCC2)cc1.
What is the InChIKey of 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
The InChIKey is AEUUTPNSMLFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS.ClH/c1-2-6-14(7-3-1)17-13-5-4-8-15-9-11-16-12-10-15;/h1-3,6-7H,4-5,8-13H2;1H.
What are the key properties of 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
4-(4-phenylsulfanylbutyl)morpholine;hydrochloride has a molecular weight of 287.86 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylsulfanylbutyl)morpholine;hydrochloride is sourced from PubChem (CID 2993739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).