N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide

C15H33N3O2S — CID 79488628

IUPACN-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C15H33N3O2S/c1-5-15(6-2)18(13-14(3)4)21(19,20)12-11-17-9-7-16-8-10-17/h14-16H,5-13H2,1-4H3
InChIKeySUYHASXGIWPWMM-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.37
Rot. Bonds9

About N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide

N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide (PubChem CID 79488628) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide
PubChem CID79488628
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC NameN-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C15H33N3O2S/c1-5-15(6-2)18(13-14(3)4)21(19,20)12-11-17-9-7-16-8-10-17/h14-16H,5-13H2,1-4H3
InChIKeySUYHASXGIWPWMM-UHFFFAOYSA-N
XLogP1.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide 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-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide (CID 79488628) is N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide?
The InChIKey is SUYHASXGIWPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-5-15(6-2)18(13-14(3)4)21(19,20)12-11-17-9-7-16-8-10-17/h14-16H,5-13H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide?
N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide has a molecular weight of 319.52 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 79488628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).