N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide

C16H32F3N3O2S — CID 70811635

IUPACN-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCC(C)(C)C(C)N1CCN(CC(F)(F)F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C16H32F3N3O2S/c1-7-15(3,4)13(2)22-9-8-21(12-16(17,18)19)11-14(22)10-20(5)25(6,23)24/h13-14H,7-12H2,1-6H3
InChIKeyODUJISVVHMAUOL-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.25
Rot. Bonds7

About N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide

N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 70811635) has the molecular formula C16H32F3N3O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID70811635
Molecular FormulaC16H32F3N3O2S
Molecular Weight387.51 g/mol
Exact Mass387.22
IUPAC NameN-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCC(C)(C)C(C)N1CCN(CC(F)(F)F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C16H32F3N3O2S/c1-7-15(3,4)13(2)22-9-8-21(12-16(17,18)19)11-14(22)10-20(5)25(6,23)24/h13-14H,7-12H2,1-6H3
InChIKeyODUJISVVHMAUOL-UHFFFAOYSA-N
XLogP2.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70938622
N-[[1-butan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-tert-butylmethanesulfonamide
CID 70939900
N-tert-butyl-N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylbutan-2-yl)piperazin-2-yl]methyl]methanesulfonamide
CID 89118219
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-(2-fluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 89118220
N-[[1-butan-2-yl-4-(2,2-difluoroethyl)piperazin-2-yl]methyl]-N-tert-butylmethanesulfonamide
CID 89118451
N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]-N-(2-methylbutan-2-yl)methanesulfonamide
CID 89118503
N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
CID 118241648
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-methylpiperazin-2-yl]methyl]methanesulfonamide
CID 70799738
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-ethylpiperazin-2-yl]methyl]methanesulfonamide
CID 70799739
N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide
CID 70939947

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide (CID 70811635) is N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide is CCC(C)(C)C(C)N1CCN(CC(F)(F)F)CC1CN(C)S(C)(=O)=O.
What is the InChIKey of N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is ODUJISVVHMAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F3N3O2S/c1-7-15(3,4)13(2)22-9-8-21(12-16(17,18)19)11-14(22)10-20(5)25(6,23)24/h13-14H,7-12H2,1-6H3.
What are the key properties of N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70811635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).