2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

C10H19ClF3N3O3S — CID 120812954

IUPAC2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCS(=O)(=O)CC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C10H18F3N3O3S.ClH/c1-20(18,19)7-9(17)15-6-8(10(11,12)13)16-4-2-14-3-5-16;/h8,14H,2-7H2,1H3,(H,15,17);1H
InChIKeyCAXZVAHYUDRQGI-UHFFFAOYSA-N
MW353.79 g/mol
LogP-0.59
Rot. Bonds5

About 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 120812954) has the molecular formula C10H19ClF3N3O3S and a molecular weight of 353.79 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID120812954
Molecular FormulaC10H19ClF3N3O3S
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCS(=O)(=O)CC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C10H18F3N3O3S.ClH/c1-20(18,19)7-9(17)15-6-8(10(11,12)13)16-4-2-14-3-5-16;/h8,14H,2-7H2,1H3,(H,15,17);1H
InChIKeyCAXZVAHYUDRQGI-UHFFFAOYSA-N
XLogP-0.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
2-[methyl(propan-2-yl)amino]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 120812706
3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
CID 120813243
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
CID 120778630
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
2-(4-methylcyclohexyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812952
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812812
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 120812954) is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is CS(=O)(=O)CC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is CAXZVAHYUDRQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S.ClH/c1-20(18,19)7-9(17)15-6-8(10(11,12)13)16-4-2-14-3-5-16;/h8,14H,2-7H2,1H3,(H,15,17);1H.
What are the key properties of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 353.79 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 120812954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).