(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid

C9H12N2O6S2 — CID 120660271

IUPAC(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)O
InChIInChI=1S/C9H12N2O6S2/c1-6(9(12)13)11-19(16,17)7-3-4-8(10-5-7)18(2,14)15/h3-6,11H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyFWWYKJOXCUSNEB-LURJTMIESA-N
MW308.34 g/mol
LogP-0.76
Rot. Bonds5

About (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid

(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid (PubChem CID 120660271) has the molecular formula C9H12N2O6S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid
PubChem CID120660271
Molecular FormulaC9H12N2O6S2
Molecular Weight308.34 g/mol
Exact Mass308.01
IUPAC Name(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)O
InChIInChI=1S/C9H12N2O6S2/c1-6(9(12)13)11-19(16,17)7-3-4-8(10-5-7)18(2,14)15/h3-6,11H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyFWWYKJOXCUSNEB-LURJTMIESA-N
XLogP-0.76
TPSA130.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069805
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid
CID 89012126
2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122058332
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
3-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]butanoic acid
CID 122067949
(2S)-2-[[4-(4-hydroxysulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 163865049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid (CID 120660271) is (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid is C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)O.
What is the InChIKey of (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid?
The InChIKey is FWWYKJOXCUSNEB-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O6S2/c1-6(9(12)13)11-19(16,17)7-3-4-8(10-5-7)18(2,14)15/h3-6,11H,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid?
(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid has a molecular weight of 308.34 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 120660271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).