4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride

C15H23ClNOS- — CID 53351645

IUPAC4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
SMILESCc1ccc(SCCCCN2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C15H23NOS.ClH/c1-14-4-6-15(7-5-14)18-13-3-2-8-16-9-11-17-12-10-16;/h4-7H,2-3,8-13H2,1H3;1H/p-1
InChIKeyBUJOHWTWKOFJAN-UHFFFAOYSA-M
MW300.88 g/mol
LogP0.20
Rot. Bonds6

About 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride

4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride (PubChem CID 53351645) has the molecular formula C15H23ClNOS- and a molecular weight of 300.88 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
PubChem CID53351645
Molecular FormulaC15H23ClNOS-
Molecular Weight300.88 g/mol
Exact Mass300.12
IUPAC Name4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
SMILESCc1ccc(SCCCCN2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C15H23NOS.ClH/c1-14-4-6-15(7-5-14)18-13-3-2-8-16-9-11-17-12-10-16;/h4-7H,2-3,8-13H2,1H3;1H/p-1
InChIKeyBUJOHWTWKOFJAN-UHFFFAOYSA-M
XLogP0.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 50.20
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-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one
CID 10265632
1-methyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazine;hydrochloride
CID 2992853
1-[2-(4-methylphenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033334
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069266
4-[2-[(4-hexylsulfanylphenyl)-phenylmethyl]sulfanylethyl]morpholine
CID 154362677
1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazine
CID 2299558
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
CID 3022021
2-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutanoic acid
CID 57349289
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride?
The IUPAC name of 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride (CID 53351645) is 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride is Cc1ccc(SCCCCN2CCOCC2)cc1.[Cl-].
What is the InChIKey of 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride?
The InChIKey is BUJOHWTWKOFJAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23NOS.ClH/c1-14-4-6-15(7-5-14)18-13-3-2-8-16-9-11-17-12-10-16;/h4-7H,2-3,8-13H2,1H3;1H/p-1.
What are the key properties of 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride?
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride has a molecular weight of 300.88 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride is sourced from PubChem (CID 53351645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).