4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine

C14H21NO2S — CID 754053

IUPAC4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
SMILESCOc1ccc(CN2CCSCC2)c(OC)c1C
InChIInChI=1S/C14H21NO2S/c1-11-13(16-2)5-4-12(14(11)17-3)10-15-6-8-18-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyDSWMCAPJPSPBDR-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.56
Rot. Bonds4

About 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine

4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine (PubChem CID 754053) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
PubChem CID754053
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
SMILESCOc1ccc(CN2CCSCC2)c(OC)c1C
InChIInChI=1S/C14H21NO2S/c1-11-13(16-2)5-4-12(14(11)17-3)10-15-6-8-18-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyDSWMCAPJPSPBDR-UHFFFAOYSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholin-4-ium
CID 6937356
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-pyrrolidin-3-ylpiperazine
CID 74245091
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine (CID 754053) is 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine is COc1ccc(CN2CCSCC2)c(OC)c1C.
What is the InChIKey of 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine?
The InChIKey is DSWMCAPJPSPBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-13(16-2)5-4-12(14(11)17-3)10-15-6-8-18-9-7-15/h4-5H,6-10H2,1-3H3.
What are the key properties of 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine?
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine has a molecular weight of 267.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 754053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).