2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride

C16H25ClN2O6S — CID 119912747

IUPAC2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C16H24N2O6S.ClH/c1-13(16(19)20)17(2)7-12-24-14-3-5-15(6-4-14)25(21,22)18-8-10-23-11-9-18;/h3-6,13H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyDCKFBBCIHARONR-UHFFFAOYSA-N
MW408.90 g/mol
LogP0.91
Rot. Bonds8

About 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride

2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride (PubChem CID 119912747) has the molecular formula C16H25ClN2O6S and a molecular weight of 408.90 g/mol. Its IUPAC name is 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
PubChem CID119912747
Molecular FormulaC16H25ClN2O6S
Molecular Weight408.90 g/mol
Exact Mass408.11
IUPAC Name2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C16H24N2O6S.ClH/c1-13(16(19)20)17(2)7-12-24-14-3-5-15(6-4-14)25(21,22)18-8-10-23-11-9-18;/h3-6,13H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyDCKFBBCIHARONR-UHFFFAOYSA-N
XLogP0.91
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
2-[methyl-[2-(4-methylsulfonylphenoxy)ethyl]amino]propanoic acid
CID 119913162
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119913696
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865
(E)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26994510
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
CID 9113165
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
(2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 40918682
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride (CID 119912747) is 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl.
What is the InChIKey of 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride?
The InChIKey is DCKFBBCIHARONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S.ClH/c1-13(16(19)20)17(2)7-12-24-14-3-5-15(6-4-14)25(21,22)18-8-10-23-11-9-18;/h3-6,13H,7-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride?
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride has a molecular weight of 408.90 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119912747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).