(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone

C15H19NO2S — CID 103595193

IUPAC(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCN1CCSCC1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H19NO2S/c1-16-7-8-19-10-14(16)15(17)11-3-2-4-13(9-11)18-12-5-6-12/h2-4,9,12,14H,5-8,10H2,1H3
InChIKeyXPGTZBBWVDFEES-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.46
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone

(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone (PubChem CID 103595193) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone
PubChem CID103595193
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCN1CCSCC1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H19NO2S/c1-16-7-8-19-10-14(16)15(17)11-3-2-4-13(9-11)18-12-5-6-12/h2-4,9,12,14H,5-8,10H2,1H3
InChIKeyXPGTZBBWVDFEES-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595300
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114521229
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiomorpholin-3-yl)methanone
CID 103595473
(3-cyclopropyloxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanone
CID 103344732
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
2-(methylamino)-1-[3-(thian-3-yloxy)phenyl]ethanone
CID 117418026
2-amino-1-[3-(thian-3-yloxy)phenyl]ethanone
CID 115005156
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523789

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone (CID 103595193) is (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone is CN1CCSCC1C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone?
The InChIKey is XPGTZBBWVDFEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-16-7-8-19-10-14(16)15(17)11-3-2-4-13(9-11)18-12-5-6-12/h2-4,9,12,14H,5-8,10H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone?
(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone has a molecular weight of 277.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone is sourced from PubChem (CID 103595193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).