4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine

C14H21NO3S — CID 2838544

IUPAC4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine
SMILESCOc1cc(OC)c(OC)cc1CN1CCSCC1
InChIInChI=1S/C14H21NO3S/c1-16-12-9-14(18-3)13(17-2)8-11(12)10-15-4-6-19-7-5-15/h8-9H,4-7,10H2,1-3H3
InChIKeyUWOFYWUJGQDRJR-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.26
Rot. Bonds5

About 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine

4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine (PubChem CID 2838544) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine
PubChem CID2838544
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine
SMILESCOc1cc(OC)c(OC)cc1CN1CCSCC1
InChIInChI=1S/C14H21NO3S/c1-16-12-9-14(18-3)13(17-2)8-11(12)10-15-4-6-19-7-5-15/h8-9H,4-7,10H2,1-3H3
InChIKeyUWOFYWUJGQDRJR-UHFFFAOYSA-N
XLogP2.26
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Trimetazidine
CID 21109
Trithiozine
CID 65790
Trimetazidine Dihydrochloride
CID 83201
Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-
CID 969955
Trimetazidine DiHCl
CID 9926449
4-[(2,4-Dimethoxy-3-methylphenyl)methyl]thiomorpholine
CID 754053
1-[(2,4,5-Trimethoxyphenyl)carbonothioyl]pyrrolidine
CID 2234365
4-(3,4-Dimethoxybenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767989
4-(2,5-Dimethoxybenzyl)thiomorpholine
CID 2838539
Tehaunine
CID 181981
AC1Lgcg5
CID 792457
N-(2,4,5-trimethoxybenzyl)cycloheptanamine
CID 787242

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine (CID 2838544) is 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine is COc1cc(OC)c(OC)cc1CN1CCSCC1.
What is the InChIKey of 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine?
The InChIKey is UWOFYWUJGQDRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-16-12-9-14(18-3)13(17-2)8-11(12)10-15-4-6-19-7-5-15/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine?
4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine has a molecular weight of 283.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 2838544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).