4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide

C10H19F3N4O3S — CID 79793052

IUPAC4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O3S/c1-9(14,10(11,12)13)8(18)16-4-6-17(7-5-16)21(19,20)15(2)3/h4-7,14H2,1-3H3
InChIKeyYXYSOHPAQYTKJK-UHFFFAOYSA-N
MW332.35 g/mol
LogP-0.78
Rot. Bonds3

About 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 79793052) has the molecular formula C10H19F3N4O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID79793052
Molecular FormulaC10H19F3N4O3S
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O3S/c1-9(14,10(11,12)13)8(18)16-4-6-17(7-5-16)21(19,20)15(2)3/h4-7,14H2,1-3H3
InChIKeyYXYSOHPAQYTKJK-UHFFFAOYSA-N
XLogP-0.78
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 79793052) is 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is YXYSOHPAQYTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O3S/c1-9(14,10(11,12)13)8(18)16-4-6-17(7-5-16)21(19,20)15(2)3/h4-7,14H2,1-3H3.
What are the key properties of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 332.35 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 79793052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).