3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol

C13H14N2O3S — CID 104773999

IUPAC3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C13H14N2O3S/c1-13(16)8-15(9-13)19(17,18)12-6-2-5-11-10(12)4-3-7-14-11/h2-7,16H,8-9H2,1H3
InChIKeyBWKAOCCOYJGMIC-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.99
Rot. Bonds2

About 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol

3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol (PubChem CID 104773999) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
PubChem CID104773999
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C13H14N2O3S/c1-13(16)8-15(9-13)19(17,18)12-6-2-5-11-10(12)4-3-7-14-11/h2-7,16H,8-9H2,1H3
InChIKeyBWKAOCCOYJGMIC-UHFFFAOYSA-N
XLogP0.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol?
The IUPAC name of 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol (CID 104773999) is 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol.
What is the SMILES notation for 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol?
The canonical SMILES for 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol is CC1(O)CN(S(=O)(=O)c2cccc3ncccc23)C1.
What is the InChIKey of 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol?
The InChIKey is BWKAOCCOYJGMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-13(16)8-15(9-13)19(17,18)12-6-2-5-11-10(12)4-3-7-14-11/h2-7,16H,8-9H2,1H3.
What are the key properties of 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol?
3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol has a molecular weight of 278.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol is sourced from PubChem (CID 104773999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).