2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone

C12H15NO3S — CID 54911266

IUPAC2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C12H15NO3S/c14-10-1-3-11(4-2-10)17-9-12(15)13-5-7-16-8-6-13/h1-4,14H,5-9H2
InChIKeyIOJZTNAJKUKITB-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.34
Rot. Bonds3

About 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone

2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 54911266) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID54911266
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C12H15NO3S/c14-10-1-3-11(4-2-10)17-9-12(15)13-5-7-16-8-6-13/h1-4,14H,5-9H2
InChIKeyIOJZTNAJKUKITB-UHFFFAOYSA-N
XLogP1.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 61031200
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 82165076
1-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496654
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
CID 60652352
1-[4-[2-(4-ethoxyphenyl)sulfanylacetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496339
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 64665740
2-(4-hydroxyphenyl)sulfanyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119543687
4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
CID 16791377
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
CID 8690719

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone (CID 54911266) is 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone is O=C(CSc1ccc(O)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is IOJZTNAJKUKITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-10-1-3-11(4-2-10)17-9-12(15)13-5-7-16-8-6-13/h1-4,14H,5-9H2.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone?
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 253.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 54911266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).