1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine

C17H26N2O3S — CID 178004852

IUPAC1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine
SMILESCCN1CCC(N2CC(Oc3cccc(S(C)(=O)=O)c3)C2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-18-9-7-14(8-10-18)19-12-16(13-19)22-15-5-4-6-17(11-15)23(2,20)21/h4-6,11,14,16H,3,7-10,12-13H2,1-2H3
InChIKeyJJAUVAMJBFSDAW-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.64
Rot. Bonds5

About 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine

1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine (PubChem CID 178004852) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine
PubChem CID178004852
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine
SMILESCCN1CCC(N2CC(Oc3cccc(S(C)(=O)=O)c3)C2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-18-9-7-14(8-10-18)19-12-16(13-19)22-15-5-4-6-17(11-15)23(2,20)21/h4-6,11,14,16H,3,7-10,12-13H2,1-2H3
InChIKeyJJAUVAMJBFSDAW-UHFFFAOYSA-N
XLogP1.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine 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

1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine
CID 174269275
3-(3-methylsulfonylphenoxy)cyclopentan-1-one
CID 79643685
[4-(3-ethoxyphenoxy)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 67169946
1-(4-cyclopropylpiperazin-1-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 56799528
1-ethyl-4-[1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-yl]piperazine
CID 133292746
1-[4-[3-(3-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587113
1-(3-chloro-2,2-diethylcyclobutyl)oxy-3-methylsulfonylbenzene
CID 66345990
acetic acid;[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 22397435
1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 94140358
1-[(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 124516544

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine?
The IUPAC name of 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine (CID 178004852) is 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine.
What is the SMILES notation for 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine is CCN1CCC(N2CC(Oc3cccc(S(C)(=O)=O)c3)C2)CC1.
What is the InChIKey of 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine?
The InChIKey is JJAUVAMJBFSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-18-9-7-14(8-10-18)19-12-16(13-19)22-15-5-4-6-17(11-15)23(2,20)21/h4-6,11,14,16H,3,7-10,12-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine?
1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine has a molecular weight of 338.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(3-methylsulfonylphenoxy)azetidin-1-yl]piperidine is sourced from PubChem (CID 178004852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).