N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide

C12H27N3O2S — CID 61252000

IUPACN-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H27N3O2S/c1-4-12(5-2)11-14(6-3)18(16,17)15-9-7-13-8-10-15/h12-13H,4-11H2,1-3H3
InChIKeyZMBQERACPBKNJZ-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.89
Rot. Bonds7

About N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide

N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide (PubChem CID 61252000) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide
PubChem CID61252000
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H27N3O2S/c1-4-12(5-2)11-14(6-3)18(16,17)15-9-7-13-8-10-15/h12-13H,4-11H2,1-3H3
InChIKeyZMBQERACPBKNJZ-UHFFFAOYSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide (CID 61252000) is N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide is CCC(CC)CN(CC)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide?
The InChIKey is ZMBQERACPBKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-12(5-2)11-14(6-3)18(16,17)15-9-7-13-8-10-15/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide?
N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61252000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).