2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid

C13H14N2O4S2 — CID 154740383

IUPAC2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H14N2O4S2/c1-10(13(16)17)15(9-11-4-2-6-14-8-11)21(18,19)12-5-3-7-20-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyPXMNAFVXIADPBG-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.81
Rot. Bonds6

About 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid

2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid (PubChem CID 154740383) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid
PubChem CID154740383
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H14N2O4S2/c1-10(13(16)17)15(9-11-4-2-6-14-8-11)21(18,19)12-5-3-7-20-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyPXMNAFVXIADPBG-UHFFFAOYSA-N
XLogP1.81
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167877301
N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360280
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
CID 60827657
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
CID 23657693
2-[benzyl-[(5-methyl-3-pyridinyl)sulfonyl]amino]propanoic acid
CID 167989374
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
3-[acetyl(pyridin-3-ylmethyl)amino]-2-methylpropanoic acid
CID 82323200
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
CID 154840056

Frequently Asked Questions

What is the IUPAC name of 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid?
The IUPAC name of 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid (CID 154740383) is 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid?
The canonical SMILES for 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid is CC(C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid?
The InChIKey is PXMNAFVXIADPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-10(13(16)17)15(9-11-4-2-6-14-8-11)21(18,19)12-5-3-7-20-12/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid?
2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid has a molecular weight of 326.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 154740383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).