1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine

C14H21N3O2S — CID 66201582

IUPAC1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C14H21N3O2S/c1-12-2-4-14(5-3-12)20(18,19)17-8-6-16(7-9-17)13-10-15-11-13/h2-5,13,15H,6-11H2,1H3
InChIKeyAWQUIVZIGCRMHJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.27
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine

1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 66201582) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID66201582
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C14H21N3O2S/c1-12-2-4-14(5-3-12)20(18,19)17-8-6-16(7-9-17)13-10-15-11-13/h2-5,13,15H,6-11H2,1H3
InChIKeyAWQUIVZIGCRMHJ-UHFFFAOYSA-N
XLogP0.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 66203901
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
1-(2-adamantyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 22202118
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
4,7,10,19-tetrakis-(4-methylphenyl)sulfonyl-1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
CID 15094039
1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
CID 655238
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 66203131
1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 70037679

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine (CID 66201582) is 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CNC3)CC2)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is AWQUIVZIGCRMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-12-2-4-14(5-3-12)20(18,19)17-8-6-16(7-9-17)13-10-15-11-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 295.41 g/mol, XLogP of 0.27, 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-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 66201582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).