phenyl 4-sulfamoylpiperazine-1-carboxylate

C11H15N3O4S — CID 61132871

IUPACphenyl 4-sulfamoylpiperazine-1-carboxylate
SMILESNS(=O)(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C11H15N3O4S/c12-19(16,17)14-8-6-13(7-9-14)11(15)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,16,17)
InChIKeyVYSPKUZKWVGSSE-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.01
Rot. Bonds2

About phenyl 4-sulfamoylpiperazine-1-carboxylate

phenyl 4-sulfamoylpiperazine-1-carboxylate (PubChem CID 61132871) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is phenyl 4-sulfamoylpiperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-sulfamoylpiperazine-1-carboxylate
PubChem CID61132871
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namephenyl 4-sulfamoylpiperazine-1-carboxylate
SMILESNS(=O)(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C11H15N3O4S/c12-19(16,17)14-8-6-13(7-9-14)11(15)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,16,17)
InChIKeyVYSPKUZKWVGSSE-UHFFFAOYSA-N
XLogP0.01
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-sulfamoylpiperazine-1-carboxylate?
The IUPAC name of phenyl 4-sulfamoylpiperazine-1-carboxylate (CID 61132871) is phenyl 4-sulfamoylpiperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-sulfamoylpiperazine-1-carboxylate?
The canonical SMILES for phenyl 4-sulfamoylpiperazine-1-carboxylate is NS(=O)(=O)N1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-sulfamoylpiperazine-1-carboxylate?
The InChIKey is VYSPKUZKWVGSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-19(16,17)14-8-6-13(7-9-14)11(15)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,16,17).
What are the key properties of phenyl 4-sulfamoylpiperazine-1-carboxylate?
phenyl 4-sulfamoylpiperazine-1-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-sulfamoylpiperazine-1-carboxylate is sourced from PubChem (CID 61132871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).