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

C15H30F3N3O2S — CID 70811662

IUPACN-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)(F)F)CC1CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H30F3N3O2S/c1-12(2)20-8-7-19(11-15(16,17)18)9-13(20)10-21(14(3,4)5)24(6,22)23/h12-13H,7-11H2,1-6H3
InChIKeyVIYKOIIFOWTDJW-UHFFFAOYSA-N
MW373.49 g/mol
LogP2.00
Rot. Bonds5

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

N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 70811662) has the molecular formula C15H30F3N3O2S and a molecular weight of 373.49 g/mol. Its IUPAC name is N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
PubChem CID70811662
Molecular FormulaC15H30F3N3O2S
Molecular Weight373.49 g/mol
Exact Mass373.20
IUPAC NameN-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)N1CCN(CC(F)(F)F)CC1CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H30F3N3O2S/c1-12(2)20-8-7-19(11-15(16,17)18)9-13(20)10-21(14(3,4)5)24(6,22)23/h12-13H,7-11H2,1-6H3
InChIKeyVIYKOIIFOWTDJW-UHFFFAOYSA-N
XLogP2.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide (CID 70811662) is N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-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(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
The InChIKey is VIYKOIIFOWTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N3O2S/c1-12(2)20-8-7-19(11-15(16,17)18)9-13(20)10-21(14(3,4)5)24(6,22)23/h12-13H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide?
N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 373.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70811662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).