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

C16H25NOS — CID 2993383

IUPAC2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine
SMILESCC1CN(CCCCSc2ccccc2)CC(C)O1
InChIInChI=1S/C16H25NOS/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
InChIKeyPBXPZYNSLFKSLY-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.67
Rot. Bonds6

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

2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine (PubChem CID 2993383) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine
PubChem CID2993383
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine
SMILESCC1CN(CCCCSc2ccccc2)CC(C)O1
InChIInChI=1S/C16H25NOS/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
InChIKeyPBXPZYNSLFKSLY-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.67
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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Related Compounds

4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
Phenylthioacetic acid, morpholide
CID 532039
2,6-Dimethyl-4-(2-{2-[(4-methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2992992
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
4-{4-[(4-Methylphenyl)thio]butyl}morpholine hydrochloride
CID 2996334
Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
CID 37284
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
2,6-Dimethyl-4-{2-[2-(phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2992886
1-(2,6-Dimethylmorpholin-4-yl)-2-phenylsulfanylethanone
CID 4387420

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine (CID 2993383) is 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine is CC1CN(CCCCSc2ccccc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine?
The InChIKey is PBXPZYNSLFKSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/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.
What are the key properties of 2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine?
2,6-dimethyl-4-(4-phenylsulfanylbutyl)morpholine has a molecular weight of 279.45 g/mol, XLogP of 3.67, 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 is sourced from PubChem (CID 2993383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).