ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate

C12H23N3O5S — CID 110343321

IUPACethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O5S/c1-4-20-12(17)15-8-6-14(7-9-15)11(16)5-10-21(18,19)13(2)3/h4-10H2,1-3H3
InChIKeyHHZHRWDLBFPRSX-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.43
Rot. Bonds5

About ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate (PubChem CID 110343321) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate
PubChem CID110343321
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Nameethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O5S/c1-4-20-12(17)15-8-6-14(7-9-15)11(16)5-10-21(18,19)13(2)3/h4-10H2,1-3H3
InChIKeyHHZHRWDLBFPRSX-UHFFFAOYSA-N
XLogP-0.43
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate (CID 110343321) is ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1.
What is the InChIKey of ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate?
The InChIKey is HHZHRWDLBFPRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-4-20-12(17)15-8-6-14(7-9-15)11(16)5-10-21(18,19)13(2)3/h4-10H2,1-3H3.
What are the key properties of ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate has a molecular weight of 321.40 g/mol, XLogP of -0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylsulfamoyl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110343321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).