2-piperazin-1-ylethanesulfonamide

C6H15N3O2S — CID 54595802

IUPAC2-piperazin-1-ylethanesulfonamide
SMILESNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C6H15N3O2S/c7-12(10,11)6-5-9-3-1-8-2-4-9/h8H,1-6H2,(H2,7,10,11)
InChIKeyFCTYJVALVSCHEV-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.82
Rot. Bonds3

About 2-piperazin-1-ylethanesulfonamide

2-piperazin-1-ylethanesulfonamide (PubChem CID 54595802) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound Name2-piperazin-1-ylethanesulfonamide
PubChem CID54595802
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name2-piperazin-1-ylethanesulfonamide
SMILESNS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C6H15N3O2S/c7-12(10,11)6-5-9-3-1-8-2-4-9/h8H,1-6H2,(H2,7,10,11)
InChIKeyFCTYJVALVSCHEV-UHFFFAOYSA-N
XLogP-1.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
2-(1,2,5-dithiazepan-5-yl)ethanesulfonamide
CID 131223941
dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
CID 145139146
1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
CID 106670197
2-(2-methylpiperazin-1-yl)ethanesulfonamide
CID 114385448
1-hydroxyethyl 2-piperazin-1-ylethanesulfonate
CID 87469546
methane;2-piperazin-1-ylethanamine
CID 160655027
2-aminoethyl 3-piperazin-1-ylpropane-1-sulfonate
CID 175146380
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
1-[2-(4-bromophenyl)sulfonylethyl]-1,4-diazepane
CID 43162521
1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanesulfonamide?
The IUPAC name of 2-piperazin-1-ylethanesulfonamide (CID 54595802) is 2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for 2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for 2-piperazin-1-ylethanesulfonamide is NS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanesulfonamide?
The InChIKey is FCTYJVALVSCHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c7-12(10,11)6-5-9-3-1-8-2-4-9/h8H,1-6H2,(H2,7,10,11).
What are the key properties of 2-piperazin-1-ylethanesulfonamide?
2-piperazin-1-ylethanesulfonamide has a molecular weight of 193.27 g/mol, XLogP of -1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 54595802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).