1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine

C10H19N3O2S — CID 79673711

IUPAC1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine
SMILESC=CCS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H19N3O2S/c1-2-7-16(14,15)13-8-10(9-13)12-5-3-11-4-6-12/h2,10-11H,1,3-9H2
InChIKeyXUGKFJCQKJQTOB-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.91
Rot. Bonds4

About 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine

1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine (PubChem CID 79673711) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine
PubChem CID79673711
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine
SMILESC=CCS(=O)(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C10H19N3O2S/c1-2-7-16(14,15)13-8-10(9-13)12-5-3-11-4-6-12/h2,10-11H,1,3-9H2
InChIKeyXUGKFJCQKJQTOB-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine?
The IUPAC name of 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine (CID 79673711) is 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine?
The canonical SMILES for 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine is C=CCS(=O)(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine?
The InChIKey is XUGKFJCQKJQTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-7-16(14,15)13-8-10(9-13)12-5-3-11-4-6-12/h2,10-11H,1,3-9H2.
What are the key properties of 1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine?
1-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine 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-(1-prop-2-enylsulfonylazetidin-3-yl)piperazine is sourced from PubChem (CID 79673711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).