1-(1-propylsulfonylazetidin-3-yl)piperazine

C10H21N3O2S — CID 66195974

IUPAC1-(1-propylsulfonylazetidin-3-yl)piperazine
SMILESCCCS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H21N3O2S/c1-2-7-16(14,15)13-8-10(9-13)12-5-3-11-4-6-12/h10-11H,2-9H2,1H3
InChIKeyJCPMRMWWWIZWDA-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.68
Rot. Bonds4

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

1-(1-propylsulfonylazetidin-3-yl)piperazine (PubChem CID 66195974) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(1-propylsulfonylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-propylsulfonylazetidin-3-yl)piperazine
PubChem CID66195974
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name1-(1-propylsulfonylazetidin-3-yl)piperazine
SMILESCCCS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H21N3O2S/c1-2-7-16(14,15)13-8-10(9-13)12-5-3-11-4-6-12/h10-11H,2-9H2,1H3
InChIKeyJCPMRMWWWIZWDA-UHFFFAOYSA-N
XLogP-0.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfonylazetidin-3-yl)piperazine?
The IUPAC name of 1-(1-propylsulfonylazetidin-3-yl)piperazine (CID 66195974) is 1-(1-propylsulfonylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-propylsulfonylazetidin-3-yl)piperazine?
The canonical SMILES for 1-(1-propylsulfonylazetidin-3-yl)piperazine is CCCS(=O)(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(1-propylsulfonylazetidin-3-yl)piperazine?
The InChIKey is JCPMRMWWWIZWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-2-7-16(14,15)13-8-10(9-13)12-5-3-11-4-6-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-(1-propylsulfonylazetidin-3-yl)piperazine?
1-(1-propylsulfonylazetidin-3-yl)piperazine has a molecular weight of 247.36 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfonylazetidin-3-yl)piperazine is sourced from PubChem (CID 66195974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).