1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine

C15H23N3O2S — CID 66203901

IUPAC1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CNC3)CC2)cc1C
InChIInChI=1S/C15H23N3O2S/c1-12-3-4-15(9-13(12)2)21(19,20)18-7-5-17(6-8-18)14-10-16-11-14/h3-4,9,14,16H,5-8,10-11H2,1-2H3
InChIKeyRWKRGEIBEMTMSF-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.58
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine

1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 66203901) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
PubChem CID66203901
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CNC3)CC2)cc1C
InChIInChI=1S/C15H23N3O2S/c1-12-3-4-15(9-13(12)2)21(19,20)18-7-5-17(6-8-18)14-10-16-11-14/h3-4,9,14,16H,5-8,10-11H2,1-2H3
InChIKeyRWKRGEIBEMTMSF-UHFFFAOYSA-N
XLogP0.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine
CID 66201582
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
1-tert-butyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074853
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 56513505

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine (CID 66203901) is 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CNC3)CC2)cc1C.
What is the InChIKey of 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is RWKRGEIBEMTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12-3-4-15(9-13(12)2)21(19,20)18-7-5-17(6-8-18)14-10-16-11-14/h3-4,9,14,16H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 309.44 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 66203901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).