4-(2-aminoethylsulfonyl)piperazin-2-one

C6H13N3O3S — CID 16788470

IUPAC4-(2-aminoethylsulfonyl)piperazin-2-one
SMILESNCCS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H13N3O3S/c7-1-4-13(11,12)9-3-2-8-6(10)5-9/h1-5,7H2,(H,8,10)
InChIKeyLRBDYHXMYQANLI-UHFFFAOYSA-N
MW207.25 g/mol
LogP-2.29
Rot. Bonds3

About 4-(2-aminoethylsulfonyl)piperazin-2-one

4-(2-aminoethylsulfonyl)piperazin-2-one (PubChem CID 16788470) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(2-aminoethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-aminoethylsulfonyl)piperazin-2-one
PubChem CID16788470
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name4-(2-aminoethylsulfonyl)piperazin-2-one
SMILESNCCS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H13N3O3S/c7-1-4-13(11,12)9-3-2-8-6(10)5-9/h1-5,7H2,(H,8,10)
InChIKeyLRBDYHXMYQANLI-UHFFFAOYSA-N
XLogP-2.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(2-aminoethylsulfonyl)piperazin-2-one (CID 16788470) is 4-(2-aminoethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-aminoethylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(2-aminoethylsulfonyl)piperazin-2-one is NCCS(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-aminoethylsulfonyl)piperazin-2-one?
The InChIKey is LRBDYHXMYQANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c7-1-4-13(11,12)9-3-2-8-6(10)5-9/h1-5,7H2,(H,8,10).
What are the key properties of 4-(2-aminoethylsulfonyl)piperazin-2-one?
4-(2-aminoethylsulfonyl)piperazin-2-one has a molecular weight of 207.25 g/mol, XLogP of -2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 16788470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).