[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone

C15H19NO3S — CID 122139221

IUPAC[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
SMILESCSC1(C(=O)N2CCOC(c3cccc(O)c3)C2)CC1
InChIInChI=1S/C15H19NO3S/c1-20-15(5-6-15)14(18)16-7-8-19-13(10-16)11-3-2-4-12(17)9-11/h2-4,9,13,17H,5-8,10H2,1H3
InChIKeySDZJLMLFDIGYSE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.19
Rot. Bonds3

About [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone

[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone (PubChem CID 122139221) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
PubChem CID122139221
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
SMILESCSC1(C(=O)N2CCOC(c3cccc(O)c3)C2)CC1
InChIInChI=1S/C15H19NO3S/c1-20-15(5-6-15)14(18)16-7-8-19-13(10-16)11-3-2-4-12(17)9-11/h2-4,9,13,17H,5-8,10H2,1H3
InChIKeySDZJLMLFDIGYSE-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 124622379
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 126783216
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 97066824
[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119757095
6-cyclopropyl-4-[2-(3-hydroxyphenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 127904119
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97233500
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 99641671
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
CID 124618590

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone?
The IUPAC name of [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone (CID 122139221) is [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone.
What is the SMILES notation for [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone?
The canonical SMILES for [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone is CSC1(C(=O)N2CCOC(c3cccc(O)c3)C2)CC1.
What is the InChIKey of [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone?
The InChIKey is SDZJLMLFDIGYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-20-15(5-6-15)14(18)16-7-8-19-13(10-16)11-3-2-4-12(17)9-11/h2-4,9,13,17H,5-8,10H2,1H3.
What are the key properties of [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone?
[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone has a molecular weight of 293.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone is sourced from PubChem (CID 122139221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).