3-(4-cyclohexylsulfonylphenyl)azetidine

C15H21NO2S — CID 162745912

IUPAC3-(4-cyclohexylsulfonylphenyl)azetidine
SMILESO=S(=O)(c1ccc(C2CNC2)cc1)C1CCCCC1
InChIInChI=1S/C15H21NO2S/c17-19(18,14-4-2-1-3-5-14)15-8-6-12(7-9-15)13-10-16-11-13/h6-9,13-14,16H,1-5,10-11H2
InChIKeyONMYATSZAZMELB-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.48
Rot. Bonds3

About 3-(4-cyclohexylsulfonylphenyl)azetidine

3-(4-cyclohexylsulfonylphenyl)azetidine (PubChem CID 162745912) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(4-cyclohexylsulfonylphenyl)azetidine.

Molecular Properties

Compound Name3-(4-cyclohexylsulfonylphenyl)azetidine
PubChem CID162745912
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name3-(4-cyclohexylsulfonylphenyl)azetidine
SMILESO=S(=O)(c1ccc(C2CNC2)cc1)C1CCCCC1
InChIInChI=1S/C15H21NO2S/c17-19(18,14-4-2-1-3-5-14)15-8-6-12(7-9-15)13-10-16-11-13/h6-9,13-14,16H,1-5,10-11H2
InChIKeyONMYATSZAZMELB-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclopropylsulfonylphenyl)piperidine
CID 117417990
3-(4-cyclohexylphenyl)azetidine;hydrochloride
CID 154791480
4-cycloheptylsulfonylbenzoic acid
CID 82925823
[3-(4-cyclohexylsulfonylphenyl)azetidin-1-yl]-[(3S)-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 175974895
2-(4-cyclopropylsulfonylphenyl)morpholine
CID 117421824
3-(4-propan-2-ylsulfonylphenyl)pyrrolidine
CID 82499538
CID 67861960
CID 67861960
3-(4-bromophenyl)sulfonylazetidine;hydrochloride
CID 72716316
4-piperidin-4-ylsulfonylaniline
CID 67192184
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752
3-(4-fluorophenyl)azetidine
CID 55250938

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylsulfonylphenyl)azetidine?
The IUPAC name of 3-(4-cyclohexylsulfonylphenyl)azetidine (CID 162745912) is 3-(4-cyclohexylsulfonylphenyl)azetidine.
What is the SMILES notation for 3-(4-cyclohexylsulfonylphenyl)azetidine?
The canonical SMILES for 3-(4-cyclohexylsulfonylphenyl)azetidine is O=S(=O)(c1ccc(C2CNC2)cc1)C1CCCCC1.
What is the InChIKey of 3-(4-cyclohexylsulfonylphenyl)azetidine?
The InChIKey is ONMYATSZAZMELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-19(18,14-4-2-1-3-5-14)15-8-6-12(7-9-15)13-10-16-11-13/h6-9,13-14,16H,1-5,10-11H2.
What are the key properties of 3-(4-cyclohexylsulfonylphenyl)azetidine?
3-(4-cyclohexylsulfonylphenyl)azetidine has a molecular weight of 279.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylsulfonylphenyl)azetidine is sourced from PubChem (CID 162745912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).