ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate

C9H19N3O4S — CID 665530

IUPACethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H19N3O4S/c1-4-16-9(13)11-5-7-12(8-6-11)17(14,15)10(2)3/h4-8H2,1-3H3
InChIKeyCNMZJCHSXOXXEV-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.43
Rot. Bonds3

About ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate

ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate (PubChem CID 665530) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate
PubChem CID665530
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Nameethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H19N3O4S/c1-4-16-9(13)11-5-7-12(8-6-11)17(14,15)10(2)3/h4-8H2,1-3H3
InChIKeyCNMZJCHSXOXXEV-UHFFFAOYSA-N
XLogP-0.43
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate (CID 665530) is ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate?
The InChIKey is CNMZJCHSXOXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-4-16-9(13)11-5-7-12(8-6-11)17(14,15)10(2)3/h4-8H2,1-3H3.
What are the key properties of ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate?
ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 665530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).