1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine

C10H19N3O2S — CID 79673612

IUPAC1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C10H19N3O2S/c1-2-7-16(14,15)13-5-3-12(4-6-13)10-8-11-9-10/h2,10-11H,1,3-9H2
InChIKeySKFWQSFYQRHOQT-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.91
Rot. Bonds4

About 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine

1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine (PubChem CID 79673612) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine
PubChem CID79673612
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C10H19N3O2S/c1-2-7-16(14,15)13-5-3-12(4-6-13)10-8-11-9-10/h2,10-11H,1,3-9H2
InChIKeySKFWQSFYQRHOQT-UHFFFAOYSA-N
XLogP-0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine (CID 79673612) is 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine?
The InChIKey is SKFWQSFYQRHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-7-16(14,15)13-5-3-12(4-6-13)10-8-11-9-10/h2,10-11H,1,3-9H2.
What are the key properties of 1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine?
1-(azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine has a molecular weight of 245.35 g/mol, XLogP of -0.91, 4 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-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 79673612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).