N-ethylpiperazine-1-sulfonamide

C6H15N3O2S — CID 28775624

IUPACN-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H15N3O2S/c1-2-8-12(10,11)9-5-3-7-4-6-9/h7-8H,2-6H2,1H3
InChIKeyRXHLCOUMVREAGG-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.25
Rot. Bonds3

About N-ethylpiperazine-1-sulfonamide

N-ethylpiperazine-1-sulfonamide (PubChem CID 28775624) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-ethylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-ethylpiperazine-1-sulfonamide
PubChem CID28775624
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC NameN-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H15N3O2S/c1-2-8-12(10,11)9-5-3-7-4-6-9/h7-8H,2-6H2,1H3
InChIKeyRXHLCOUMVREAGG-UHFFFAOYSA-N
XLogP-1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.25
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?
The IUPAC name of N-ethylpiperazine-1-sulfonamide (CID 28775624) is N-ethylpiperazine-1-sulfonamide.
What is the SMILES notation for N-ethylpiperazine-1-sulfonamide?
The canonical SMILES for N-ethylpiperazine-1-sulfonamide is CCNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-ethylpiperazine-1-sulfonamide?
The InChIKey is RXHLCOUMVREAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-2-8-12(10,11)9-5-3-7-4-6-9/h7-8H,2-6H2,1H3.
What are the key properties of N-ethylpiperazine-1-sulfonamide?
N-ethylpiperazine-1-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of -1.25, 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 is sourced from PubChem (CID 28775624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).