(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine

C16H24ClNO2S — CID 2182895

IUPAC(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCOCCSc2ccc(Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C16H24ClNO2S/c1-13-11-18(12-14(2)20-13)7-8-19-9-10-21-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyOOVLVMWSMGXCRD-KBPBESRZSA-N
MW329.89 g/mol
LogP3.56
Rot. Bonds7

About (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine

(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine (PubChem CID 2182895) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine
PubChem CID2182895
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCOCCSc2ccc(Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C16H24ClNO2S/c1-13-11-18(12-14(2)20-13)7-8-19-9-10-21-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyOOVLVMWSMGXCRD-KBPBESRZSA-N
XLogP3.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
CID 2935352
(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2182894
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
CID 2582694
(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
CID 7380570
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2923533
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
4-[2-[2-(4-chloro-2,3-dimethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2934947
4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2935442
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine (CID 2182895) is (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine is C[C@H]1CN(CCOCCSc2ccc(Cl)cc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine?
The InChIKey is OOVLVMWSMGXCRD-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-13-11-18(12-14(2)20-13)7-8-19-9-10-21-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine has a molecular weight of 329.89 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2182895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).