4-ethylpiperazine-1-sulfonamide

C6H15N3O2S — CID 43131916

IUPAC4-ethylpiperazine-1-sulfonamide
SMILESCCN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C6H15N3O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3,(H2,7,10,11)
InChIKeyBAVMVXJZYYDDHT-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.17
Rot. Bonds2

About 4-ethylpiperazine-1-sulfonamide

4-ethylpiperazine-1-sulfonamide (PubChem CID 43131916) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-ethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-ethylpiperazine-1-sulfonamide
PubChem CID43131916
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name4-ethylpiperazine-1-sulfonamide
SMILESCCN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C6H15N3O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3,(H2,7,10,11)
InChIKeyBAVMVXJZYYDDHT-UHFFFAOYSA-N
XLogP-1.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpiperazine-1-sulfonamide?
The IUPAC name of 4-ethylpiperazine-1-sulfonamide (CID 43131916) is 4-ethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-ethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-ethylpiperazine-1-sulfonamide is CCN1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-ethylpiperazine-1-sulfonamide?
The InChIKey is BAVMVXJZYYDDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-2-8-3-5-9(6-4-8)12(7,10)11/h2-6H2,1H3,(H2,7,10,11).
What are the key properties of 4-ethylpiperazine-1-sulfonamide?
4-ethylpiperazine-1-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperazine-1-sulfonamide is sourced from PubChem (CID 43131916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).