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

C15H32F2N2O2S — CID 118241796

IUPACN-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(CC(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H32F2N2O2S/c1-8-13(10-19(12(2)3)11-14(16)17)9-15(4,5)18(6)22(7,20)21/h12-14H,8-11H2,1-7H3
InChIKeyGVYABLYROHNQKJ-UHFFFAOYSA-N
MW342.50 g/mol
LogP3.05
Rot. Bonds10

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

N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (PubChem CID 118241796) has the molecular formula C15H32F2N2O2S and a molecular weight of 342.50 g/mol. Its IUPAC name is N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
PubChem CID118241796
Molecular FormulaC15H32F2N2O2S
Molecular Weight342.50 g/mol
Exact Mass342.22
IUPAC NameN-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(CC(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H32F2N2O2S/c1-8-13(10-19(12(2)3)11-14(16)17)9-15(4,5)18(6)22(7,20)21/h12-14H,8-11H2,1-7H3
InChIKeyGVYABLYROHNQKJ-UHFFFAOYSA-N
XLogP3.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (CID 118241796) is N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is CCC(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-methylhexan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is GVYABLYROHNQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32F2N2O2S/c1-8-13(10-19(12(2)3)11-14(16)17)9-15(4,5)18(6)22(7,20)21/h12-14H,8-11H2,1-7H3.
What are the key properties of N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 342.50 g/mol, XLogP of 3.05, 10 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-methylhexan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).