N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide

C16H34F2N2O2S — CID 118241826

IUPACN-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
SMILESCCCC(CN(CC(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C16H34F2N2O2S/c1-8-9-14(11-20(13(2)3)12-15(17)18)10-16(4,5)19(6)23(7,21)22/h13-15H,8-12H2,1-7H3
InChIKeyAUPBXFFBFPYVLU-UHFFFAOYSA-N
MW356.52 g/mol
LogP3.44
Rot. Bonds11

About N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide

N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide (PubChem CID 118241826) has the molecular formula C16H34F2N2O2S and a molecular weight of 356.52 g/mol. Its IUPAC name is N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
PubChem CID118241826
Molecular FormulaC16H34F2N2O2S
Molecular Weight356.52 g/mol
Exact Mass356.23
IUPAC NameN-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
SMILESCCCC(CN(CC(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C16H34F2N2O2S/c1-8-9-14(11-20(13(2)3)12-15(17)18)10-16(4,5)19(6)23(7,21)22/h13-15H,8-12H2,1-7H3
InChIKeyAUPBXFFBFPYVLU-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705423
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
Bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide
CID 59046684
N-[5-[butan-2-yl(2-fluoroethyl)amino]-2,4-dimethylpentan-2-yl]-N-methylmethanesulfonamide
CID 88991751
N-methyl-N-[2-methyl-4-[[propan-2-yl(trifluoromethyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241721
N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241725
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide
CID 118241731
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241793
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241796
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241834
N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241903
N-[3,5-dimethyl-6-[propan-2-yl(trifluoromethyl)amino]hexan-3-yl]-N-methylmethanesulfonamide
CID 118241947

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide (CID 118241826) is N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide is CCCC(CN(CC(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is AUPBXFFBFPYVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34F2N2O2S/c1-8-9-14(11-20(13(2)3)12-15(17)18)10-16(4,5)19(6)23(7,21)22/h13-15H,8-12H2,1-7H3.
What are the key properties of N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide?
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 356.52 g/mol, XLogP of 3.44, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).