2-piperazin-1-ylethanesulfonamide;hydrochloride

C6H16ClN3O2S — CID 86611202

IUPAC2-piperazin-1-ylethanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C6H15N3O2S.ClH/c7-12(10,11)6-5-9-3-1-8-2-4-9;/h8H,1-6H2,(H2,7,10,11);1H
InChIKeyGTTHWYOUINQHIQ-UHFFFAOYSA-N
MW229.73 g/mol
LogP-1.40
Rot. Bonds3

About 2-piperazin-1-ylethanesulfonamide;hydrochloride

2-piperazin-1-ylethanesulfonamide;hydrochloride (PubChem CID 86611202) has the molecular formula C6H16ClN3O2S and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-piperazin-1-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylethanesulfonamide;hydrochloride
PubChem CID86611202
Molecular FormulaC6H16ClN3O2S
Molecular Weight229.73 g/mol
Exact Mass229.07
IUPAC Name2-piperazin-1-ylethanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C6H15N3O2S.ClH/c7-12(10,11)6-5-9-3-1-8-2-4-9;/h8H,1-6H2,(H2,7,10,11);1H
InChIKeyGTTHWYOUINQHIQ-UHFFFAOYSA-N
XLogP-1.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-ylethanesulfonamide
CID 54595802
1-(2-piperazin-1-ylethylsulfonyl)azepane
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2-(1,2,5-dithiazepan-5-yl)ethanesulfonamide
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dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
CID 145139146
piperazine-1-sulfonamide;hydrochloride
CID 67467256
1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
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2-(2-methylpiperazin-1-yl)ethanesulfonamide
CID 114385448
1-hydroxyethyl 2-piperazin-1-ylethanesulfonate
CID 87469546
methane;2-piperazin-1-ylethanamine
CID 160655027
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanesulfonamide;hydrochloride?
The IUPAC name of 2-piperazin-1-ylethanesulfonamide;hydrochloride (CID 86611202) is 2-piperazin-1-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylethanesulfonamide;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylethanesulfonamide;hydrochloride is Cl.NS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanesulfonamide;hydrochloride?
The InChIKey is GTTHWYOUINQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.ClH/c7-12(10,11)6-5-9-3-1-8-2-4-9;/h8H,1-6H2,(H2,7,10,11);1H.
What are the key properties of 2-piperazin-1-ylethanesulfonamide;hydrochloride?
2-piperazin-1-ylethanesulfonamide;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of -1.40, 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;hydrochloride is sourced from PubChem (CID 86611202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).