N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide

C12H27N3O3S — CID 63239588

IUPACN,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H27N3O3S/c1-5-14(6-2)19(17,18)15-9-7-13(8-10-15)11-12(3,4)16/h16H,5-11H2,1-4H3
InChIKeyBUHOJMISUYVHDM-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.04
Rot. Bonds6

About N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide

N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide (PubChem CID 63239588) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide
PubChem CID63239588
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H27N3O3S/c1-5-14(6-2)19(17,18)15-9-7-13(8-10-15)11-12(3,4)16/h16H,5-11H2,1-4H3
InChIKeyBUHOJMISUYVHDM-UHFFFAOYSA-N
XLogP-0.04
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-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,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide (CID 63239588) is N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide?
The InChIKey is BUHOJMISUYVHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-5-14(6-2)19(17,18)15-9-7-13(8-10-15)11-12(3,4)16/h16H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide?
N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 63239588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).