ethenyl 4-methylsulfonylpiperazine-1-sulfonate

C7H14N2O5S2 — CID 170994791

IUPACethenyl 4-methylsulfonylpiperazine-1-sulfonate
SMILESC=COS(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O5S2/c1-3-14-16(12,13)9-6-4-8(5-7-9)15(2,10)11/h3H,1,4-7H2,2H3
InChIKeySVAQYCJTSJJFTM-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.03
Rot. Bonds4

About ethenyl 4-methylsulfonylpiperazine-1-sulfonate

ethenyl 4-methylsulfonylpiperazine-1-sulfonate (PubChem CID 170994791) has the molecular formula C7H14N2O5S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethenyl 4-methylsulfonylpiperazine-1-sulfonate.

Molecular Properties

Compound Nameethenyl 4-methylsulfonylpiperazine-1-sulfonate
PubChem CID170994791
Molecular FormulaC7H14N2O5S2
Molecular Weight270.33 g/mol
Exact Mass270.03
IUPAC Nameethenyl 4-methylsulfonylpiperazine-1-sulfonate
SMILESC=COS(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O5S2/c1-3-14-16(12,13)9-6-4-8(5-7-9)15(2,10)11/h3H,1,4-7H2,2H3
InChIKeySVAQYCJTSJJFTM-UHFFFAOYSA-N
XLogP-1.03
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 4-methylsulfonylpiperazine-1-sulfonate?
The IUPAC name of ethenyl 4-methylsulfonylpiperazine-1-sulfonate (CID 170994791) is ethenyl 4-methylsulfonylpiperazine-1-sulfonate.
What is the SMILES notation for ethenyl 4-methylsulfonylpiperazine-1-sulfonate?
The canonical SMILES for ethenyl 4-methylsulfonylpiperazine-1-sulfonate is C=COS(=O)(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethenyl 4-methylsulfonylpiperazine-1-sulfonate?
The InChIKey is SVAQYCJTSJJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S2/c1-3-14-16(12,13)9-6-4-8(5-7-9)15(2,10)11/h3H,1,4-7H2,2H3.
What are the key properties of ethenyl 4-methylsulfonylpiperazine-1-sulfonate?
ethenyl 4-methylsulfonylpiperazine-1-sulfonate has a molecular weight of 270.33 g/mol, XLogP of -1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-methylsulfonylpiperazine-1-sulfonate is sourced from PubChem (CID 170994791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).