(3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol

C10H15N3O4S — CID 134378722

IUPAC(3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@](O)(CO)C2)nn1
InChIInChI=1S/C10H15N3O4S/c1-8-2-3-9(12-11-8)18(16,17)13-5-4-10(15,6-13)7-14/h2-3,14-15H,4-7H2,1H3/t10-/m1/s1
InChIKeyXEKRDRVOTFNXJU-SNVBAGLBSA-N
MW273.31 g/mol
LogP-1.10
Rot. Bonds3

About (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol

(3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol (PubChem CID 134378722) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol
PubChem CID134378722
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC[C@](O)(CO)C2)nn1
InChIInChI=1S/C10H15N3O4S/c1-8-2-3-9(12-11-8)18(16,17)13-5-4-10(15,6-13)7-14/h2-3,14-15H,4-7H2,1H3/t10-/m1/s1
InChIKeyXEKRDRVOTFNXJU-SNVBAGLBSA-N
XLogP-1.10
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(hydroxymethyl)pyrrolidin-3-ol
CID 142309567
1-(2,6-dichlorophenyl)sulfonyl-4-(hydroxymethyl)azepan-4-ol
CID 56908943
1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 71638752
(3R)-1-(4-chlorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 125020513
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
CID 124978908
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
CID 164635553
(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 124976702
(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 124982113
4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol
CID 56754287
1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol
CID 142309464
1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 110097934

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol (CID 134378722) is (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol is Cc1ccc(S(=O)(=O)N2CC[C@](O)(CO)C2)nn1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is XEKRDRVOTFNXJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-8-2-3-9(12-11-8)18(16,17)13-5-4-10(15,6-13)7-14/h2-3,14-15H,4-7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol?
(3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 273.31 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-1-(6-methylpyridazin-3-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 134378722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).