2-(4-propan-2-yloxyphenyl)sulfanylmorpholine

C13H19NO2S — CID 117034199

IUPAC2-(4-propan-2-yloxyphenyl)sulfanylmorpholine
SMILESCC(C)Oc1ccc(SC2CNCCO2)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)16-11-3-5-12(6-4-11)17-13-9-14-7-8-15-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyXGAUFOYVHNLJGZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine

2-(4-propan-2-yloxyphenyl)sulfanylmorpholine (PubChem CID 117034199) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)sulfanylmorpholine
PubChem CID117034199
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-propan-2-yloxyphenyl)sulfanylmorpholine
SMILESCC(C)Oc1ccc(SC2CNCCO2)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)16-11-3-5-12(6-4-11)17-13-9-14-7-8-15-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyXGAUFOYVHNLJGZ-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-yloxyphenyl)sulfanylazetidine
CID 117032992
2-(3,4-dimethoxyphenyl)sulfanylmorpholine
CID 117034183
2-morpholin-2-yl-N-(4-propan-2-yloxyphenyl)acetamide
CID 66432987
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine
CID 117034189
(2R)-2-(4-propan-2-yloxyphenyl)piperazine
CID 95443937
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119720999
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
2-(morpholin-2-yldisulfanyl)morpholine
CID 22625305
(2R)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 93302393
2-(5-bromothiophen-2-yl)sulfanylmorpholine
CID 117034196
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine (CID 117034199) is 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine is CC(C)Oc1ccc(SC2CNCCO2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine?
The InChIKey is XGAUFOYVHNLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)16-11-3-5-12(6-4-11)17-13-9-14-7-8-15-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine?
2-(4-propan-2-yloxyphenyl)sulfanylmorpholine has a molecular weight of 253.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)sulfanylmorpholine is sourced from PubChem (CID 117034199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).