4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine

C15H22ClNOS — CID 2935352

IUPAC4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCSc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H22ClNOS/c1-12-10-17(11-13(2)18-12)8-3-9-19-15-6-4-14(16)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDFVNXPWWTNMKPT-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.93
Rot. Bonds5

About 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine

4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine (PubChem CID 2935352) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
PubChem CID2935352
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCSc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H22ClNOS/c1-12-10-17(11-13(2)18-12)8-3-9-19-15-6-4-14(16)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDFVNXPWWTNMKPT-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.93
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-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine (CID 2935352) is 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine is CC1CN(CCCSc2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine?
The InChIKey is DFVNXPWWTNMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-12-10-17(11-13(2)18-12)8-3-9-19-15-6-4-14(16)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine?
4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine has a molecular weight of 299.87 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2935352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).