(1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide

C8H13N3O3S — CID 126590671

IUPAC(1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide
SMILESCc1ccc([C@H](O)[C@H](C)S(N)(=O)=O)nn1
InChIInChI=1S/C8H13N3O3S/c1-5-3-4-7(11-10-5)8(12)6(2)15(9,13)14/h3-4,6,8,12H,1-2H3,(H2,9,13,14)/t6-,8+/m0/s1
InChIKeyGBIWSEXRAHJSHO-POYBYMJQSA-N
MW231.28 g/mol
LogP-0.50
Rot. Bonds3

About (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide

(1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide (PubChem CID 126590671) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide
PubChem CID126590671
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name(1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide
SMILESCc1ccc([C@H](O)[C@H](C)S(N)(=O)=O)nn1
InChIInChI=1S/C8H13N3O3S/c1-5-3-4-7(11-10-5)8(12)6(2)15(9,13)14/h3-4,6,8,12H,1-2H3,(H2,9,13,14)/t6-,8+/m0/s1
InChIKeyGBIWSEXRAHJSHO-POYBYMJQSA-N
XLogP-0.50
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Methylpyridazin-3-yl)methanol
CID 53420938
(Pyridazine-3,6-diyl)dimethanol
CID 15275423
1-[6-(1-Hydroxyethyl)pyridazin-3-yl]ethanol
CID 68983941
N-[6-(1-hydroxyethyl)pyridazin-3-yl]methanesulfonamide
CID 71230505
1-(6-Methylpyridazin-3-yl)ethan-1-ol
CID 90227184
1-(6-Methylpyridazin-3-yl)ethyl methanesulfonate
CID 121415111
(S)-1-(6-Methylpyridazin-3-yl)ethan-1-ol
CID 121415126
(6-Methylpyridazin-3-yl)methyl methanesulfonate
CID 122458562
1-(6-Methylpyridazin-3-yl)propane-1,2-diol
CID 122701590
1-Hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide
CID 122702079
(1R,2R)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
CID 124085414
(1S,2R)-1-(6-methylpyridazin-3-yl)-2-methylsulfonylpropan-1-ol
CID 124085415

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide?
The IUPAC name of (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide (CID 126590671) is (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide?
The canonical SMILES for (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide is Cc1ccc([C@H](O)[C@H](C)S(N)(=O)=O)nn1.
What is the InChIKey of (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide?
The InChIKey is GBIWSEXRAHJSHO-POYBYMJQSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-5-3-4-7(11-10-5)8(12)6(2)15(9,13)14/h3-4,6,8,12H,1-2H3,(H2,9,13,14)/t6-,8+/m0/s1.
What are the key properties of (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide?
(1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-hydroxy-1-(6-methylpyridazin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 126590671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).