N-ethylpiperazine-1-sulfonamide;hydrochloride

C6H16ClN3O2S — CID 154729877

IUPACN-ethylpiperazine-1-sulfonamide;hydrochloride
SMILESCCNS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C6H15N3O2S.ClH/c1-2-8-12(10,11)9-5-3-7-4-6-9;/h7-8H,2-6H2,1H3;1H
InChIKeyHWGACUUUUZQKCE-UHFFFAOYSA-N
MW229.73 g/mol
LogP-0.83
Rot. Bonds3

About N-ethylpiperazine-1-sulfonamide;hydrochloride

N-ethylpiperazine-1-sulfonamide;hydrochloride (PubChem CID 154729877) has the molecular formula C6H16ClN3O2S and a molecular weight of 229.73 g/mol. Its IUPAC name is N-ethylpiperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-ethylpiperazine-1-sulfonamide;hydrochloride
PubChem CID154729877
Molecular FormulaC6H16ClN3O2S
Molecular Weight229.73 g/mol
Exact Mass229.07
IUPAC NameN-ethylpiperazine-1-sulfonamide;hydrochloride
SMILESCCNS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C6H15N3O2S.ClH/c1-2-8-12(10,11)9-5-3-7-4-6-9;/h7-8H,2-6H2,1H3;1H
InChIKeyHWGACUUUUZQKCE-UHFFFAOYSA-N
XLogP-0.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylpiperazine-1-sulfonamide;hydrochloride?
The IUPAC name of N-ethylpiperazine-1-sulfonamide;hydrochloride (CID 154729877) is N-ethylpiperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-ethylpiperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-ethylpiperazine-1-sulfonamide;hydrochloride is CCNS(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of N-ethylpiperazine-1-sulfonamide;hydrochloride?
The InChIKey is HWGACUUUUZQKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.ClH/c1-2-8-12(10,11)9-5-3-7-4-6-9;/h7-8H,2-6H2,1H3;1H.
What are the key properties of N-ethylpiperazine-1-sulfonamide;hydrochloride?
N-ethylpiperazine-1-sulfonamide;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpiperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 154729877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).