3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine

C11H15N3O3S — CID 100624713

IUPAC3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
SMILESO=S(=O)(C1CC1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C11H15N3O3S/c15-18(16,10-3-4-10)14-7-5-9(8-14)17-11-2-1-6-12-13-11/h1-2,6,9-10H,3-5,7-8H2/t9-/m0/s1
InChIKeyTUQXZZQUMIOLGO-VIFPVBQESA-N
MW269.33 g/mol
LogP0.42
Rot. Bonds4

About 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine

3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 100624713) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID100624713
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
SMILESO=S(=O)(C1CC1)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C11H15N3O3S/c15-18(16,10-3-4-10)14-7-5-9(8-14)17-11-2-1-6-12-13-11/h1-2,6,9-10H,3-5,7-8H2/t9-/m0/s1
InChIKeyTUQXZZQUMIOLGO-VIFPVBQESA-N
XLogP0.42
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine (CID 100624713) is 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine is O=S(=O)(C1CC1)N1CC[C@H](Oc2cccnn2)C1.
What is the InChIKey of 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is TUQXZZQUMIOLGO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-18(16,10-3-4-10)14-7-5-9(8-14)17-11-2-1-6-12-13-11/h1-2,6,9-10H,3-5,7-8H2/t9-/m0/s1.
What are the key properties of 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine?
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 269.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 100624713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).