N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide

C12H24F3N3O2S — CID 70939957

IUPACN-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)(F)F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C12H24F3N3O2S/c1-10(2)18-6-5-17(9-12(13,14)15)8-11(18)7-16(3)21(4,19)20/h10-11H,5-9H2,1-4H3
InChIKeyZPPWXJYTTPAODN-UHFFFAOYSA-N
MW331.40 g/mol
LogP0.83
Rot. Bonds5

About N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide

N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 70939957) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
PubChem CID70939957
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC NameN-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)(F)F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C12H24F3N3O2S/c1-10(2)18-6-5-17(9-12(13,14)15)8-11(18)7-16(3)21(4,19)20/h10-11H,5-9H2,1-4H3
InChIKeyZPPWXJYTTPAODN-UHFFFAOYSA-N
XLogP0.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide 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-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide (CID 70939957) is N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide is CC(C)N1CCN(CC(F)(F)F)CC1CN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The InChIKey is ZPPWXJYTTPAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2S/c1-10(2)18-6-5-17(9-12(13,14)15)8-11(18)7-16(3)21(4,19)20/h10-11H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70939957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).