6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane

C18H20N2O3S — CID 123361102

IUPAC6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3C4CNCC43)cc2)nc1
InChIInChI=1S/C18H20N2O3S/c1-24(21,22)14-6-7-18(20-8-14)12-2-4-13(5-3-12)23-11-17-15-9-19-10-16(15)17/h2-8,15-17,19H,9-11H2,1H3
InChIKeyDAWQHOUFJMMNQX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.00
Rot. Bonds5

About 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane

6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 123361102) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID123361102
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCC3C4CNCC43)cc2)nc1
InChIInChI=1S/C18H20N2O3S/c1-24(21,22)14-6-7-18(20-8-14)12-2-4-13(5-3-12)23-11-17-15-9-19-10-16(15)17/h2-8,15-17,19H,9-11H2,1H3
InChIKeyDAWQHOUFJMMNQX-UHFFFAOYSA-N
XLogP2.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(3-azabicyclo[3.1.0]hexan-6-ylmethoxy)phenyl]phenyl]-dihydroxy-methyl-λ4-sulfane
CID 123741983
N'-hydroxy-4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboximidamide
CID 87100228
6-(4-methylsulfonylphenyl)pyridine-3-carbaldehyde
CID 57353945
5-(chloromethyl)-2-(4-methylsulfonylphenyl)pyridine
CID 146419326
N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646911
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
CID 59790923
4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
CID 91186698
2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine
CID 68892366
5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine
CID 67973749
propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine
CID 22917275
CID 87174460
CID 87174460

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane (CID 123361102) is 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane is CS(=O)(=O)c1ccc(-c2ccc(OCC3C4CNCC43)cc2)nc1.
What is the InChIKey of 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is DAWQHOUFJMMNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-24(21,22)14-6-7-18(20-8-14)12-2-4-13(5-3-12)23-11-17-15-9-19-10-16(15)17/h2-8,15-17,19H,9-11H2,1H3.
What are the key properties of 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane?
6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 344.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 123361102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).