2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid

C11H13N3O5S — CID 106593294

IUPAC2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H13N3O5S/c1-19-6-5-14(8-11(15)16)20(17,18)10-3-2-4-13-9(10)7-12/h2-4H,5-6,8H2,1H3,(H,15,16)
InChIKeyXCNJVXZILDDJIC-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.33
Rot. Bonds7

About 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid

2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 106593294) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
PubChem CID106593294
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H13N3O5S/c1-19-6-5-14(8-11(15)16)20(17,18)10-3-2-4-13-9(10)7-12/h2-4H,5-6,8H2,1H3,(H,15,16)
InChIKeyXCNJVXZILDDJIC-UHFFFAOYSA-N
XLogP-0.33
TPSA120.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
CID 106593268
2-[(3-amino-2-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
CID 166400276
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 106593407
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-chloro-N-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785
2-hydrazinyl-N,N-bis(2-methoxyethyl)pyridine-3-sulfonamide
CID 61418313
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 61046666

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid (CID 106593294) is 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is XCNJVXZILDDJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-19-6-5-14(8-11(15)16)20(17,18)10-3-2-4-13-9(10)7-12/h2-4H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid?
2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 299.31 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 106593294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).