2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride

C16H26ClNOS — CID 2993382

IUPAC2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride
SMILESCC1CN(CCCCSc2ccccc2)CC(C)O1.Cl
InChIInChI=1S/C16H25NOS.ClH/c1-14-12-17(13-15(2)18-14)10-6-7-11-19-16-8-4-3-5-9-16;/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3;1H
InChIKeyATZPRAIULMSCLI-UHFFFAOYSA-N
MW315.91 g/mol
LogP4.09
Rot. Bonds6

About 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride

2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride (PubChem CID 2993382) has the molecular formula C16H26ClNOS and a molecular weight of 315.91 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride
PubChem CID2993382
Molecular FormulaC16H26ClNOS
Molecular Weight315.91 g/mol
Exact Mass315.14
IUPAC Name2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride
SMILESCC1CN(CCCCSc2ccccc2)CC(C)O1.Cl
InChIInChI=1S/C16H25NOS.ClH/c1-14-12-17(13-15(2)18-14)10-6-7-11-19-16-8-4-3-5-9-16;/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3;1H
InChIKeyATZPRAIULMSCLI-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.09
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 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride (CID 2993382) is 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride is CC1CN(CCCCSc2ccccc2)CC(C)O1.Cl.
What is the InChIKey of 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
The InChIKey is ATZPRAIULMSCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS.ClH/c1-14-12-17(13-15(2)18-14)10-6-7-11-19-16-8-4-3-5-9-16;/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride?
2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride has a molecular weight of 315.91 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine;hydrochloride is sourced from PubChem (CID 2993382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).