N-piperazin-1-ylmethanesulfonamide

C5H13N3O2S — CID 57036774

IUPACN-piperazin-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NN1CCNCC1
InChIInChI=1S/C5H13N3O2S/c1-11(9,10)7-8-4-2-6-3-5-8/h6-7H,2-5H2,1H3
InChIKeyGFAFMMBGRNSYLA-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.64
Rot. Bonds2

About N-piperazin-1-ylmethanesulfonamide

N-piperazin-1-ylmethanesulfonamide (PubChem CID 57036774) has the molecular formula C5H13N3O2S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-piperazin-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-piperazin-1-ylmethanesulfonamide
PubChem CID57036774
Molecular FormulaC5H13N3O2S
Molecular Weight179.24 g/mol
Exact Mass179.07
IUPAC NameN-piperazin-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NN1CCNCC1
InChIInChI=1S/C5H13N3O2S/c1-11(9,10)7-8-4-2-6-3-5-8/h6-7H,2-5H2,1H3
InChIKeyGFAFMMBGRNSYLA-UHFFFAOYSA-N
XLogP-1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-ylmethanesulfonamide?
The IUPAC name of N-piperazin-1-ylmethanesulfonamide (CID 57036774) is N-piperazin-1-ylmethanesulfonamide.
What is the SMILES notation for N-piperazin-1-ylmethanesulfonamide?
The canonical SMILES for N-piperazin-1-ylmethanesulfonamide is CS(=O)(=O)NN1CCNCC1.
What is the InChIKey of N-piperazin-1-ylmethanesulfonamide?
The InChIKey is GFAFMMBGRNSYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-11(9,10)7-8-4-2-6-3-5-8/h6-7H,2-5H2,1H3.
What are the key properties of N-piperazin-1-ylmethanesulfonamide?
N-piperazin-1-ylmethanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-ylmethanesulfonamide is sourced from PubChem (CID 57036774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).