N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide

C8H18F2N2O2S — CID 121481054

IUPACN-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(C)(=O)=O)CC(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-7(2)12(6-8(9)10)5-4-11-15(3,13)14/h7-8,11H,4-6H2,1-3H3
InChIKeyVGMHYTWKBPAXJH-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.51
Rot. Bonds7

About N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide

N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 121481054) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID121481054
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(C)(=O)=O)CC(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-7(2)12(6-8(9)10)5-4-11-15(3,13)14/h7-8,11H,4-6H2,1-3H3
InChIKeyVGMHYTWKBPAXJH-UHFFFAOYSA-N
XLogP0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (CID 121481054) is N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is CC(C)N(CCNS(C)(=O)=O)CC(F)F.
What is the InChIKey of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is VGMHYTWKBPAXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-7(2)12(6-8(9)10)5-4-11-15(3,13)14/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 121481054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).