N-piperazin-1-ylsulfonylacetamide

C6H13N3O3S — CID 117126269

IUPACN-piperazin-1-ylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H13N3O3S/c1-6(10)8-13(11,12)9-4-2-7-3-5-9/h7H,2-5H2,1H3,(H,8,10)
InChIKeyCUOBZEVFVZZACR-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.73
Rot. Bonds2

About N-piperazin-1-ylsulfonylacetamide

N-piperazin-1-ylsulfonylacetamide (PubChem CID 117126269) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-piperazin-1-ylsulfonylacetamide.

Molecular Properties

Compound NameN-piperazin-1-ylsulfonylacetamide
PubChem CID117126269
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC NameN-piperazin-1-ylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H13N3O3S/c1-6(10)8-13(11,12)9-4-2-7-3-5-9/h7H,2-5H2,1H3,(H,8,10)
InChIKeyCUOBZEVFVZZACR-UHFFFAOYSA-N
XLogP-1.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-ylsulfonylacetamide?
The IUPAC name of N-piperazin-1-ylsulfonylacetamide (CID 117126269) is N-piperazin-1-ylsulfonylacetamide.
What is the SMILES notation for N-piperazin-1-ylsulfonylacetamide?
The canonical SMILES for N-piperazin-1-ylsulfonylacetamide is CC(=O)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-piperazin-1-ylsulfonylacetamide?
The InChIKey is CUOBZEVFVZZACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-6(10)8-13(11,12)9-4-2-7-3-5-9/h7H,2-5H2,1H3,(H,8,10).
What are the key properties of N-piperazin-1-ylsulfonylacetamide?
N-piperazin-1-ylsulfonylacetamide has a molecular weight of 207.25 g/mol, XLogP of -1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-ylsulfonylacetamide is sourced from PubChem (CID 117126269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).