2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid

C14H19N3O6S — CID 120527570

IUPAC2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
SMILESCN(CC(=O)N1CCOC(CC(=O)O)C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H19N3O6S/c1-16(24(21,22)12-3-2-4-15-8-12)10-13(18)17-5-6-23-11(9-17)7-14(19)20/h2-4,8,11H,5-7,9-10H2,1H3,(H,19,20)
InChIKeyNTUYUIYBSFZJAC-UHFFFAOYSA-N
MW357.39 g/mol
LogP-0.60
Rot. Bonds6

About 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid

2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid (PubChem CID 120527570) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
PubChem CID120527570
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Name2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
SMILESCN(CC(=O)N1CCOC(CC(=O)O)C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H19N3O6S/c1-16(24(21,22)12-3-2-4-15-8-12)10-13(18)17-5-6-23-11(9-17)7-14(19)20/h2-4,8,11H,5-7,9-10H2,1H3,(H,19,20)
InChIKeyNTUYUIYBSFZJAC-UHFFFAOYSA-N
XLogP-0.60
TPSA117.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435865
N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
CID 3826695
N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 49050534
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 119414940
2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434836
2-[(2R)-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125119116
2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 120527790
N-[2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 55956101
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 120569880
2-[4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 120527820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid (CID 120527570) is 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid is CN(CC(=O)N1CCOC(CC(=O)O)C1)S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid?
The InChIKey is NTUYUIYBSFZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-16(24(21,22)12-3-2-4-15-8-12)10-13(18)17-5-6-23-11(9-17)7-14(19)20/h2-4,8,11H,5-7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid has a molecular weight of 357.39 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).