3-(2,5-dimethoxyphenyl)sulfanylmorpholine

C12H17NO3S — CID 117034229

IUPAC3-(2,5-dimethoxyphenyl)sulfanylmorpholine
SMILESCOc1ccc(OC)c(SC2COCCN2)c1
InChIInChI=1S/C12H17NO3S/c1-14-9-3-4-10(15-2)11(7-9)17-12-8-16-6-5-13-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKBXULGFMRRMBTH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.74
Rot. Bonds4

About 3-(2,5-dimethoxyphenyl)sulfanylmorpholine

3-(2,5-dimethoxyphenyl)sulfanylmorpholine (PubChem CID 117034229) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)sulfanylmorpholine
PubChem CID117034229
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(2,5-dimethoxyphenyl)sulfanylmorpholine
SMILESCOc1ccc(OC)c(SC2COCCN2)c1
InChIInChI=1S/C12H17NO3S/c1-14-9-3-4-10(15-2)11(7-9)17-12-8-16-6-5-13-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKBXULGFMRRMBTH-UHFFFAOYSA-N
XLogP1.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
CID 117033009
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352
1-(2,5-dimethoxyphenyl)-2-morpholin-3-ylethanamine
CID 116941470
3-(3,4-dimethylphenyl)sulfanylmorpholine
CID 117034214
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
1-(4-methoxyphenyl)-N-methyl-1-morpholin-3-ylmethanamine
CID 116956524
6-[(2,5-dimethoxyphenyl)methyl]-1,4-oxazepane
CID 82297834

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)sulfanylmorpholine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)sulfanylmorpholine (CID 117034229) is 3-(2,5-dimethoxyphenyl)sulfanylmorpholine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)sulfanylmorpholine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)sulfanylmorpholine is COc1ccc(OC)c(SC2COCCN2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)sulfanylmorpholine?
The InChIKey is KBXULGFMRRMBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-14-9-3-4-10(15-2)11(7-9)17-12-8-16-6-5-13-12/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)sulfanylmorpholine?
3-(2,5-dimethoxyphenyl)sulfanylmorpholine has a molecular weight of 255.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)sulfanylmorpholine is sourced from PubChem (CID 117034229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).