3,5-dimethyl-1-prop-2-enylsulfonylpiperazine

C9H18N2O2S — CID 79672513

IUPAC3,5-dimethyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C9H18N2O2S/c1-4-5-14(12,13)11-6-8(2)10-9(3)7-11/h4,8-10H,1,5-7H2,2-3H3
InChIKeyLOPZSXWNTVICRY-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.18
Rot. Bonds3

About 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine

3,5-dimethyl-1-prop-2-enylsulfonylpiperazine (PubChem CID 79672513) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-prop-2-enylsulfonylpiperazine
PubChem CID79672513
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3,5-dimethyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C9H18N2O2S/c1-4-5-14(12,13)11-6-8(2)10-9(3)7-11/h4,8-10H,1,5-7H2,2-3H3
InChIKeyLOPZSXWNTVICRY-UHFFFAOYSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine?
The IUPAC name of 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine (CID 79672513) is 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine?
The canonical SMILES for 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CC(C)NC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine?
The InChIKey is LOPZSXWNTVICRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-4-5-14(12,13)11-6-8(2)10-9(3)7-11/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine?
3,5-dimethyl-1-prop-2-enylsulfonylpiperazine has a molecular weight of 218.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 79672513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).