1-(1-ethylsulfonylazetidin-3-yl)piperazine

C9H19N3O2S — CID 66194820

IUPAC1-(1-ethylsulfonylazetidin-3-yl)piperazine
SMILESCCS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C9H19N3O2S/c1-2-15(13,14)12-7-9(8-12)11-5-3-10-4-6-11/h9-10H,2-8H2,1H3
InChIKeyKBVDFJLSIBZHEE-UHFFFAOYSA-N
MW233.34 g/mol
LogP-1.07
Rot. Bonds3

About 1-(1-ethylsulfonylazetidin-3-yl)piperazine

1-(1-ethylsulfonylazetidin-3-yl)piperazine (PubChem CID 66194820) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(1-ethylsulfonylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-ethylsulfonylazetidin-3-yl)piperazine
PubChem CID66194820
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name1-(1-ethylsulfonylazetidin-3-yl)piperazine
SMILESCCS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C9H19N3O2S/c1-2-15(13,14)12-7-9(8-12)11-5-3-10-4-6-11/h9-10H,2-8H2,1H3
InChIKeyKBVDFJLSIBZHEE-UHFFFAOYSA-N
XLogP-1.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylazetidin-3-yl)piperazine?
The IUPAC name of 1-(1-ethylsulfonylazetidin-3-yl)piperazine (CID 66194820) is 1-(1-ethylsulfonylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-ethylsulfonylazetidin-3-yl)piperazine?
The canonical SMILES for 1-(1-ethylsulfonylazetidin-3-yl)piperazine is CCS(=O)(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(1-ethylsulfonylazetidin-3-yl)piperazine?
The InChIKey is KBVDFJLSIBZHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-2-15(13,14)12-7-9(8-12)11-5-3-10-4-6-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(1-ethylsulfonylazetidin-3-yl)piperazine?
1-(1-ethylsulfonylazetidin-3-yl)piperazine has a molecular weight of 233.34 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylazetidin-3-yl)piperazine is sourced from PubChem (CID 66194820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).