3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine

C15H22ClNO2S — CID 106735006

IUPAC3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine
SMILESCC(C)(C)S(=O)(=O)CCC1(c2cccc(Cl)c2)CNC1
InChIInChI=1S/C15H22ClNO2S/c1-14(2,3)20(18,19)8-7-15(10-17-11-15)12-5-4-6-13(16)9-12/h4-6,9,17H,7-8,10-11H2,1-3H3
InChIKeyXGWHDBOKBNVNOR-UHFFFAOYSA-N
MW315.87 g/mol
LogP2.78
Rot. Bonds4

About 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine

3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine (PubChem CID 106735006) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine
PubChem CID106735006
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine
SMILESCC(C)(C)S(=O)(=O)CCC1(c2cccc(Cl)c2)CNC1
InChIInChI=1S/C15H22ClNO2S/c1-14(2,3)20(18,19)8-7-15(10-17-11-15)12-5-4-6-13(16)9-12/h4-6,9,17H,7-8,10-11H2,1-3H3
InChIKeyXGWHDBOKBNVNOR-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019208
3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
CID 79459725
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142953
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
2-[3-(3-chlorophenyl)azepan-3-yl]ethanol
CID 19418633
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
1-(7-tert-butylsulfonylheptyl)-3-chlorobenzene
CID 159161335
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 106273183

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine (CID 106735006) is 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine is CC(C)(C)S(=O)(=O)CCC1(c2cccc(Cl)c2)CNC1.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine?
The InChIKey is XGWHDBOKBNVNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-14(2,3)20(18,19)8-7-15(10-17-11-15)12-5-4-6-13(16)9-12/h4-6,9,17H,7-8,10-11H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine?
3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine has a molecular weight of 315.87 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine is sourced from PubChem (CID 106735006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).