4-ethyl-N,N-dimethylpiperazine-1-sulfonamide

C8H19N3O2S — CID 3758380

IUPAC4-ethyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C8H19N3O2S/c1-4-10-5-7-11(8-6-10)14(12,13)9(2)3/h4-8H2,1-3H3
InChIKeyADBMBEPADCFKKN-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.57
Rot. Bonds3

About 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide

4-ethyl-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 3758380) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-ethyl-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID3758380
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name4-ethyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C8H19N3O2S/c1-4-10-5-7-11(8-6-10)14(12,13)9(2)3/h4-8H2,1-3H3
InChIKeyADBMBEPADCFKKN-UHFFFAOYSA-N
XLogP-0.57
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide (CID 3758380) is 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide is CCN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is ADBMBEPADCFKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-4-10-5-7-11(8-6-10)14(12,13)9(2)3/h4-8H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide?
4-ethyl-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 3758380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).