3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine

C13H19NO3S — CID 117034352

IUPAC3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
SMILESCOc1ccc(OC)c(SCC2COCCN2)c1
InChIInChI=1S/C13H19NO3S/c1-15-11-3-4-12(16-2)13(7-11)18-9-10-8-17-6-5-14-10/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyUFWBZSNHOKYKCX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.78
Rot. Bonds5

About 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine

3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine (PubChem CID 117034352) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
PubChem CID117034352
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
SMILESCOc1ccc(OC)c(SCC2COCCN2)c1
InChIInChI=1S/C13H19NO3S/c1-15-11-3-4-12(16-2)13(7-11)18-9-10-8-17-6-5-14-10/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyUFWBZSNHOKYKCX-UHFFFAOYSA-N
XLogP1.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)sulfanylmorpholine
CID 117034229
1-(2,5-dimethoxyphenyl)-2-morpholin-3-ylethanamine
CID 116941470
3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338
1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
CID 81466199
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
3-[(4-ethylphenyl)sulfanylmethyl]morpholine
CID 117034341
1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
CID 117033913

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine (CID 117034352) is 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine is COc1ccc(OC)c(SCC2COCCN2)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine?
The InChIKey is UFWBZSNHOKYKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-15-11-3-4-12(16-2)13(7-11)18-9-10-8-17-6-5-14-10/h3-4,7,10,14H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine?
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine has a molecular weight of 269.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine is sourced from PubChem (CID 117034352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).