N-ethyl-2,2-dimethylpiperazine-1-sulfonamide

C8H19N3O2S — CID 115752522

IUPACN-ethyl-2,2-dimethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNCC1(C)C
InChIInChI=1S/C8H19N3O2S/c1-4-10-14(12,13)11-6-5-9-7-8(11,2)3/h9-10H,4-7H2,1-3H3
InChIKeyBJMMMEQHACQMTH-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.48
Rot. Bonds3

About N-ethyl-2,2-dimethylpiperazine-1-sulfonamide

N-ethyl-2,2-dimethylpiperazine-1-sulfonamide (PubChem CID 115752522) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-ethyl-2,2-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethylpiperazine-1-sulfonamide
PubChem CID115752522
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-ethyl-2,2-dimethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCNCC1(C)C
InChIInChI=1S/C8H19N3O2S/c1-4-10-14(12,13)11-6-5-9-7-8(11,2)3/h9-10H,4-7H2,1-3H3
InChIKeyBJMMMEQHACQMTH-UHFFFAOYSA-N
XLogP-0.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2,2-dimethylpiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethylpiperazine-1-sulfonamide?
The IUPAC name of N-ethyl-2,2-dimethylpiperazine-1-sulfonamide (CID 115752522) is N-ethyl-2,2-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for N-ethyl-2,2-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for N-ethyl-2,2-dimethylpiperazine-1-sulfonamide is CCNS(=O)(=O)N1CCNCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethylpiperazine-1-sulfonamide?
The InChIKey is BJMMMEQHACQMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-4-10-14(12,13)11-6-5-9-7-8(11,2)3/h9-10H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethylpiperazine-1-sulfonamide?
N-ethyl-2,2-dimethylpiperazine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 115752522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).