2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide

C9H13N3O4S — CID 114153459

IUPAC2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
SMILESCS(=O)(=O)c1cccnc1NCC(O)C(N)=O
InChIInChI=1S/C9H13N3O4S/c1-17(15,16)7-3-2-4-11-9(7)12-5-6(13)8(10)14/h2-4,6,13H,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyJPQNCNSBKAWQIW-UHFFFAOYSA-N
MW259.29 g/mol
LogP-1.26
Rot. Bonds5

About 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide

2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide (PubChem CID 114153459) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
PubChem CID114153459
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
SMILESCS(=O)(=O)c1cccnc1NCC(O)C(N)=O
InChIInChI=1S/C9H13N3O4S/c1-17(15,16)7-3-2-4-11-9(7)12-5-6(13)8(10)14/h2-4,6,13H,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyJPQNCNSBKAWQIW-UHFFFAOYSA-N
XLogP-1.26
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-bromo-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170853
3-[(3-ethoxy-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170981
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
2-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598733
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 106545025
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 114598706
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide (CID 114153459) is 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide is CS(=O)(=O)c1cccnc1NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide?
The InChIKey is JPQNCNSBKAWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-17(15,16)7-3-2-4-11-9(7)12-5-6(13)8(10)14/h2-4,6,13H,5H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide?
2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide has a molecular weight of 259.29 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 114153459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).