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

C16H33F2N3O2S — CID 118241648

IUPACN-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCC(C)(C)C(C)N1CCN(CC(F)F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C16H33F2N3O2S/c1-7-16(3,4)13(2)21-9-8-20(12-15(17)18)11-14(21)10-19(5)24(6,22)23/h13-15H,7-12H2,1-6H3
InChIKeyBFQOBTRSWXEVQH-UHFFFAOYSA-N
MW369.52 g/mol
LogP1.95
Rot. Bonds8

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

N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 118241648) has the molecular formula C16H33F2N3O2S and a molecular weight of 369.52 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID118241648
Molecular FormulaC16H33F2N3O2S
Molecular Weight369.52 g/mol
Exact Mass369.23
IUPAC NameN-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCC(C)(C)C(C)N1CCN(CC(F)F)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C16H33F2N3O2S/c1-7-16(3,4)13(2)21-9-8-20(12-15(17)18)11-14(21)10-19(5)24(6,22)23/h13-15H,7-12H2,1-6H3
InChIKeyBFQOBTRSWXEVQH-UHFFFAOYSA-N
XLogP1.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[1-(3,3-dimethylpentan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide
CID 70811635
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-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-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide (CID 118241648) is N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide is CCC(C)(C)C(C)N1CCN(CC(F)F)CC1CN(C)S(C)(=O)=O.
What is the InChIKey of N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is BFQOBTRSWXEVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F2N3O2S/c1-7-16(3,4)13(2)21-9-8-20(12-15(17)18)11-14(21)10-19(5)24(6,22)23/h13-15H,7-12H2,1-6H3.
What are the key properties of N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 369.52 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylpentan-2-yl)piperazin-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).