3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one

C16H23NO6S — CID 110631062

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCOc1ccc(S(=O)(=O)CCC(=O)N2CCOCC2C)cc1OC
InChIInChI=1S/C16H23NO6S/c1-12-11-23-8-7-17(12)16(18)6-9-24(19,20)13-4-5-14(21-2)15(10-13)22-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyAUOVEKWKONREHC-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.11
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one

3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one (PubChem CID 110631062) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one
PubChem CID110631062
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCOc1ccc(S(=O)(=O)CCC(=O)N2CCOCC2C)cc1OC
InChIInChI=1S/C16H23NO6S/c1-12-11-23-8-7-17(12)16(18)6-9-24(19,20)13-4-5-14(21-2)15(10-13)22-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyAUOVEKWKONREHC-UHFFFAOYSA-N
XLogP1.11
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-1-(3,5-dimethylmorpholin-4-yl)propan-1-one
CID 110631191
N-[4-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]sulfonylphenyl]acetamide
CID 110631064
3-(3,4-dimethoxyphenyl)sulfonyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 110416123
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropan-1-one
CID 125119780
3-(3,4-dimethoxyphenyl)sulfonyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 110408454
1-[3-(3,4-dimethoxyphenyl)sulfonylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119355283
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropan-1-one
CID 125120163
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(3,4-dimethoxyphenyl)sulfonylpropan-1-one;hydrochloride
CID 119637167
3-(3,4-dimethoxyphenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490636
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633484
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one (CID 110631062) is 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one is COc1ccc(S(=O)(=O)CCC(=O)N2CCOCC2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one?
The InChIKey is AUOVEKWKONREHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-12-11-23-8-7-17(12)16(18)6-9-24(19,20)13-4-5-14(21-2)15(10-13)22-3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one?
3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one has a molecular weight of 357.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 110631062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).