1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol

C10H14N2O3S — CID 63106804

IUPAC1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CCc1ccncc1)N1CC(O)C1
InChIInChI=1S/C10H14N2O3S/c13-10-7-12(8-10)16(14,15)6-3-9-1-4-11-5-2-9/h1-2,4-5,10,13H,3,6-8H2
InChIKeyREQJHTHUIPREEO-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.37
Rot. Bonds4

About 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol

1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol (PubChem CID 63106804) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
PubChem CID63106804
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CCc1ccncc1)N1CC(O)C1
InChIInChI=1S/C10H14N2O3S/c13-10-7-12(8-10)16(14,15)6-3-9-1-4-11-5-2-9/h1-2,4-5,10,13H,3,6-8H2
InChIKeyREQJHTHUIPREEO-UHFFFAOYSA-N
XLogP-0.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
(2R,4R)-4-hydroxy-1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000827
5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine
CID 79993282
1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63032884
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
1-(2-pyridin-4-ylethylsulfonyl)piperidine-3-carbaldehyde
CID 63845727
1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
CID 62734075
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
CID 82687811
1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
CID 66201584
2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 63341357
hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane
CID 22944914

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol?
The IUPAC name of 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol (CID 63106804) is 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol.
What is the SMILES notation for 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol?
The canonical SMILES for 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol is O=S(=O)(CCc1ccncc1)N1CC(O)C1.
What is the InChIKey of 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol?
The InChIKey is REQJHTHUIPREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-10-7-12(8-10)16(14,15)6-3-9-1-4-11-5-2-9/h1-2,4-5,10,13H,3,6-8H2.
What are the key properties of 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol?
1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol has a molecular weight of 242.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol is sourced from PubChem (CID 63106804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).