2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

C15H21NO4S — CID 43885604

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(SC(C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H21NO4S/c1-11(15(17)16-6-8-20-9-7-16)21-12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAMYRQWDBSXXGFE-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.04
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 43885604) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID43885604
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(SC(C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H21NO4S/c1-11(15(17)16-6-8-20-9-7-16)21-12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAMYRQWDBSXXGFE-UHFFFAOYSA-N
XLogP2.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperazine-1-carbaldehyde
CID 43916108
2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 46771977
2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 43904564
2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 79830536
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 94027306
(2S)-1-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylpropan-1-one
CID 94011806
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 99951185
3-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylbenzaldehyde
CID 66354077
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 66354946
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide
CID 28635203
2-(3,4-dimethoxyphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94818251

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 43885604) is 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is COc1ccc(SC(C)C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is AMYRQWDBSXXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11(15(17)16-6-8-20-9-7-16)21-12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 311.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43885604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).