3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid

C11H17N3O4S — CID 106934719

IUPAC3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid
SMILESCCN(c1ccncc1)S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H17N3O4S/c1-3-14(10-4-7-12-8-5-10)19(17,18)13(2)9-6-11(15)16/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyDVNJQXZBVDJZPW-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.56
Rot. Bonds7

About 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid

3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid (PubChem CID 106934719) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid
PubChem CID106934719
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid
SMILESCCN(c1ccncc1)S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H17N3O4S/c1-3-14(10-4-7-12-8-5-10)19(17,18)13(2)9-6-11(15)16/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyDVNJQXZBVDJZPW-UHFFFAOYSA-N
XLogP0.56
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid
CID 81404403
N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
CID 106936457
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
N-ethyl-2-(methylamino)-N-pyridin-4-ylethanesulfonamide
CID 106936354
4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 106936138
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
3-(4-methyl-N-[methyl(propan-2-yl)sulfamoyl]anilino)propanoic acid
CID 61455541
3-(N-ethylsulfonyl-4-iodoanilino)propanoic acid
CID 50891135
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 103744756

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid (CID 106934719) is 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid is CCN(c1ccncc1)S(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid?
The InChIKey is DVNJQXZBVDJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-14(10-4-7-12-8-5-10)19(17,18)13(2)9-6-11(15)16/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,16).
What are the key properties of 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid?
3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 106934719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).