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

C10H14N2O3S — CID 63106619

IUPAC1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CCc1ccccn1)N1CC(O)C1
InChIInChI=1S/C10H14N2O3S/c13-10-7-12(8-10)16(14,15)6-4-9-3-1-2-5-11-9/h1-3,5,10,13H,4,6-8H2
InChIKeyRLCSDIAAOZHGKI-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.37
Rot. Bonds4

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

1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol (PubChem CID 63106619) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
PubChem CID63106619
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CCc1ccccn1)N1CC(O)C1
InChIInChI=1S/C10H14N2O3S/c13-10-7-12(8-10)16(14,15)6-4-9-3-1-2-5-11-9/h1-3,5,10,13H,4,6-8H2
InChIKeyRLCSDIAAOZHGKI-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

(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
5-(2-pyridin-2-ylethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213179
2-[1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681749
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
(2R,4R)-4-hydroxy-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000801
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
CID 63106804
1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 66202357
methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate
CID 78926034
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol?
The IUPAC name of 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol (CID 63106619) is 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol.
What is the SMILES notation for 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol?
The canonical SMILES for 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol is O=S(=O)(CCc1ccccn1)N1CC(O)C1.
What is the InChIKey of 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol?
The InChIKey is RLCSDIAAOZHGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-10-7-12(8-10)16(14,15)6-4-9-3-1-2-5-11-9/h1-3,5,10,13H,4,6-8H2.
What are the key properties of 1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol?
1-(2-pyridin-2-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-2-ylethylsulfonyl)azetidin-3-ol is sourced from PubChem (CID 63106619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).