4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine

C14H20ClNOS — CID 10968097

IUPAC4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine
SMILESCc1c(CCl)cccc1SCCN1CCOCC1
InChIInChI=1S/C14H20ClNOS/c1-12-13(11-15)3-2-4-14(12)18-10-7-16-5-8-17-9-6-16/h2-4H,5-11H2,1H3
InChIKeyMPSVPISQRWKINF-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.16
Rot. Bonds5

About 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine

4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine (PubChem CID 10968097) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine
PubChem CID10968097
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine
SMILESCc1c(CCl)cccc1SCCN1CCOCC1
InChIInChI=1S/C14H20ClNOS/c1-12-13(11-15)3-2-4-14(12)18-10-7-16-5-8-17-9-6-16/h2-4H,5-11H2,1H3
InChIKeyMPSVPISQRWKINF-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
CID 174531973
4-methyl-6-[1-methyl-4-[[2-(2-morpholin-4-ylethylsulfanyl)phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 166101525
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
1-[1-methyl-4-[[2-(2-morpholin-4-ylethylsulfanyl)phenyl]methyl]pyrazol-3-yl]butane-1,3-dione
CID 175634411
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
CID 66355170
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751
4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
CID 143457208
4-[2-[2-chloro-5-(2-morpholin-4-ylethylsulfanyl)phenyl]sulfanylethyl]morpholine;methanesulfonic acid
CID 21163755
N-(3-methylphenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 31837240
[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol
CID 139756453

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine?
The IUPAC name of 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine (CID 10968097) is 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine is Cc1c(CCl)cccc1SCCN1CCOCC1.
What is the InChIKey of 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine?
The InChIKey is MPSVPISQRWKINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-12-13(11-15)3-2-4-14(12)18-10-7-16-5-8-17-9-6-16/h2-4H,5-11H2,1H3.
What are the key properties of 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine?
4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine has a molecular weight of 285.84 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine is sourced from PubChem (CID 10968097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).