2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid

C15H21NO6S — CID 166289300

IUPAC2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid
SMILESCOc1ccccc1S(=O)(=O)N1CC(CC(=O)O)OCC1(C)C
InChIInChI=1S/C15H21NO6S/c1-15(2)10-22-11(8-14(17)18)9-16(15)23(19,20)13-7-5-4-6-12(13)21-3/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyLZRVWUZROQXLIB-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.34
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid

2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid (PubChem CID 166289300) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid
PubChem CID166289300
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid
SMILESCOc1ccccc1S(=O)(=O)N1CC(CC(=O)O)OCC1(C)C
InChIInChI=1S/C15H21NO6S/c1-15(2)10-22-11(8-14(17)18)9-16(15)23(19,20)13-7-5-4-6-12(13)21-3/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyLZRVWUZROQXLIB-UHFFFAOYSA-N
XLogP1.34
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid (CID 166289300) is 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid is COc1ccccc1S(=O)(=O)N1CC(CC(=O)O)OCC1(C)C.
What is the InChIKey of 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid?
The InChIKey is LZRVWUZROQXLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-15(2)10-22-11(8-14(17)18)9-16(15)23(19,20)13-7-5-4-6-12(13)21-3/h4-7,11H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid?
2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid has a molecular weight of 343.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid is sourced from PubChem (CID 166289300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).