1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone

C15H21NO4S — CID 102934744

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11-7-16(8-13(9-17)20-11)15(18)10-21-14-5-3-12(19-2)4-6-14/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyDJQVZLJVRKRBHB-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone (PubChem CID 102934744) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone
PubChem CID102934744
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11-7-16(8-13(9-17)20-11)15(18)10-21-14-5-3-12(19-2)4-6-14/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyDJQVZLJVRKRBHB-UHFFFAOYSA-N
XLogP1.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
(E)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 102934428
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 134049356
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 79029321
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 119639176
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642798
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 43393323
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone (CID 102934744) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone is COc1ccc(SCC(=O)N2CC(C)OC(CO)C2)cc1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone?
The InChIKey is DJQVZLJVRKRBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11-7-16(8-13(9-17)20-11)15(18)10-21-14-5-3-12(19-2)4-6-14/h3-6,11,13,17H,7-10H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone has a molecular weight of 311.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 102934744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).