3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid

C15H22N2O5S — CID 166267340

IUPAC3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid
SMILESCC1CN(S(=O)(=O)NCc2ccccc2CCC(=O)O)CCO1
InChIInChI=1S/C15H22N2O5S/c1-12-11-17(8-9-22-12)23(20,21)16-10-14-5-3-2-4-13(14)6-7-15(18)19/h2-5,12,16H,6-11H2,1H3,(H,18,19)
InChIKeyLHUVOIQWCQHAAI-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.76
Rot. Bonds7

About 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid

3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid (PubChem CID 166267340) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid
PubChem CID166267340
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid
SMILESCC1CN(S(=O)(=O)NCc2ccccc2CCC(=O)O)CCO1
InChIInChI=1S/C15H22N2O5S/c1-12-11-17(8-9-22-12)23(20,21)16-10-14-5-3-2-4-13(14)6-7-15(18)19/h2-5,12,16H,6-11H2,1H3,(H,18,19)
InChIKeyLHUVOIQWCQHAAI-UHFFFAOYSA-N
XLogP0.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide
CID 110345502
(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide
CID 100761665
2-(2-methylmorpholin-4-yl)sulfonylphenol
CID 81239969
(2S)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 124682455
(2R)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147250
(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147251
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 95164617
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylmorpholine
CID 51076359

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid?
The IUPAC name of 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid (CID 166267340) is 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid is CC1CN(S(=O)(=O)NCc2ccccc2CCC(=O)O)CCO1.
What is the InChIKey of 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid?
The InChIKey is LHUVOIQWCQHAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-12-11-17(8-9-22-12)23(20,21)16-10-14-5-3-2-4-13(14)6-7-15(18)19/h2-5,12,16H,6-11H2,1H3,(H,18,19).
What are the key properties of 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid?
3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid has a molecular weight of 342.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2-methylmorpholin-4-yl)sulfonylamino]methyl]phenyl]propanoic acid is sourced from PubChem (CID 166267340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).