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

C11H22F3N3O2S — CID 70811669

IUPACN-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)(F)F)CC1CNS(C)(=O)=O
InChIInChI=1S/C11H22F3N3O2S/c1-9(2)17-5-4-16(8-11(12,13)14)7-10(17)6-15-20(3,18)19/h9-10,15H,4-8H2,1-3H3
InChIKeyWONLXQIATUZFAS-UHFFFAOYSA-N
MW317.38 g/mol
LogP0.49
Rot. Bonds5

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

N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 70811669) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
PubChem CID70811669
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC NameN-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)(F)F)CC1CNS(C)(=O)=O
InChIInChI=1S/C11H22F3N3O2S/c1-9(2)17-5-4-16(8-11(12,13)14)7-10(17)6-15-20(3,18)19/h9-10,15H,4-8H2,1-3H3
InChIKeyWONLXQIATUZFAS-UHFFFAOYSA-N
XLogP0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide (CID 70811669) is N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide is CC(C)N1CCN(CC(F)(F)F)CC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The InChIKey is WONLXQIATUZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-9(2)17-5-4-16(8-11(12,13)14)7-10(17)6-15-20(3,18)19/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 317.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70811669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).