1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride

C11H24ClF3N4O3S — CID 120778501

IUPAC1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride
SMILESCOCCN(C)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C11H23F3N4O3S.ClH/c1-17(7-8-21-2)22(19,20)16-9-10(11(12,13)14)18-5-3-15-4-6-18;/h10,15-16H,3-9H2,1-2H3;1H
InChIKeyGHLPZOHGUFMFOH-UHFFFAOYSA-N
MW384.85 g/mol
LogP-0.34
Rot. Bonds8

About 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride

1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride (PubChem CID 120778501) has the molecular formula C11H24ClF3N4O3S and a molecular weight of 384.85 g/mol. Its IUPAC name is 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride
PubChem CID120778501
Molecular FormulaC11H24ClF3N4O3S
Molecular Weight384.85 g/mol
Exact Mass384.12
IUPAC Name1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride
SMILESCOCCN(C)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C11H23F3N4O3S.ClH/c1-17(7-8-21-2)22(19,20)16-9-10(11(12,13)14)18-5-3-15-4-6-18;/h10,15-16H,3-9H2,1-2H3;1H
InChIKeyGHLPZOHGUFMFOH-UHFFFAOYSA-N
XLogP-0.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride 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 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride (CID 120778501) is 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride is COCCN(C)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride?
The InChIKey is GHLPZOHGUFMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O3S.ClH/c1-17(7-8-21-2)22(19,20)16-9-10(11(12,13)14)18-5-3-15-4-6-18;/h10,15-16H,3-9H2,1-2H3;1H.
What are the key properties of 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride?
1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride has a molecular weight of 384.85 g/mol, XLogP of -0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1-trifluoro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]propan-2-yl]piperazine;hydrochloride is sourced from PubChem (CID 120778501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).