(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid

C8H10N2O5S — CID 104935920

IUPAC(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C8H10N2O5S/c11-7(8(12)13)5-10-16(14,15)6-2-1-3-9-4-6/h1-4,7,10-11H,5H2,(H,12,13)/t7-/m0/s1
InChIKeyFSKJRMDBMXGEAY-ZETCQYMHSA-N
MW246.24 g/mol
LogP-1.19
Rot. Bonds5

About (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid

(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid (PubChem CID 104935920) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
PubChem CID104935920
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Name(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C8H10N2O5S/c11-7(8(12)13)5-10-16(14,15)6-2-1-3-9-4-6/h1-4,7,10-11H,5H2,(H,12,13)/t7-/m0/s1
InChIKeyFSKJRMDBMXGEAY-ZETCQYMHSA-N
XLogP-1.19
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 43461535
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
CID 66167517
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011
N-propylpyridine-3-sulfonamide
CID 43258995

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid (CID 104935920) is (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid is O=C(O)[C@@H](O)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid?
The InChIKey is FSKJRMDBMXGEAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10N2O5S/c11-7(8(12)13)5-10-16(14,15)6-2-1-3-9-4-6/h1-4,7,10-11H,5H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid?
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid has a molecular weight of 246.24 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 104935920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).