1-pyridin-3-ylsulfonylazetidin-3-ol

C8H10N2O3S — CID 63105318

IUPAC1-pyridin-3-ylsulfonylazetidin-3-ol
SMILESO=S(=O)(c1cccnc1)N1CC(O)C1
InChIInChI=1S/C8H10N2O3S/c11-7-5-10(6-7)14(12,13)8-2-1-3-9-4-8/h1-4,7,11H,5-6H2
InChIKeyOZZIJMCMTLGDPQ-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.55
Rot. Bonds2

About 1-pyridin-3-ylsulfonylazetidin-3-ol

1-pyridin-3-ylsulfonylazetidin-3-ol (PubChem CID 63105318) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonylazetidin-3-ol
PubChem CID63105318
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name1-pyridin-3-ylsulfonylazetidin-3-ol
SMILESO=S(=O)(c1cccnc1)N1CC(O)C1
InChIInChI=1S/C8H10N2O3S/c11-7-5-10(6-7)14(12,13)8-2-1-3-9-4-8/h1-4,7,11H,5-6H2
InChIKeyOZZIJMCMTLGDPQ-UHFFFAOYSA-N
XLogP-0.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonylazetidin-3-ol?
The IUPAC name of 1-pyridin-3-ylsulfonylazetidin-3-ol (CID 63105318) is 1-pyridin-3-ylsulfonylazetidin-3-ol.
What is the SMILES notation for 1-pyridin-3-ylsulfonylazetidin-3-ol?
The canonical SMILES for 1-pyridin-3-ylsulfonylazetidin-3-ol is O=S(=O)(c1cccnc1)N1CC(O)C1.
What is the InChIKey of 1-pyridin-3-ylsulfonylazetidin-3-ol?
The InChIKey is OZZIJMCMTLGDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-7-5-10(6-7)14(12,13)8-2-1-3-9-4-8/h1-4,7,11H,5-6H2.
What are the key properties of 1-pyridin-3-ylsulfonylazetidin-3-ol?
1-pyridin-3-ylsulfonylazetidin-3-ol has a molecular weight of 214.25 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonylazetidin-3-ol is sourced from PubChem (CID 63105318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).