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

C12H26F2N2O2S — CID 88991668

IUPACN-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCN(C(C)(C)C)S(C)(=O)=O)CC(F)F
InChIInChI=1S/C12H26F2N2O2S/c1-10(2)15(9-11(13)14)7-8-16(12(3,4)5)19(6,17)18/h10-11H,7-9H2,1-6H3
InChIKeyMMAULCDQVIHNDD-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.02
Rot. Bonds7

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

N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 88991668) has the molecular formula C12H26F2N2O2S and a molecular weight of 300.41 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID88991668
Molecular FormulaC12H26F2N2O2S
Molecular Weight300.41 g/mol
Exact Mass300.17
IUPAC NameN-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCN(C(C)(C)C)S(C)(=O)=O)CC(F)F
InChIInChI=1S/C12H26F2N2O2S/c1-10(2)15(9-11(13)14)7-8-16(12(3,4)5)19(6,17)18/h10-11H,7-9H2,1-6H3
InChIKeyMMAULCDQVIHNDD-UHFFFAOYSA-N
XLogP2.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide (CID 88991668) is N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is CC(C)N(CCN(C(C)(C)C)S(C)(=O)=O)CC(F)F.
What is the InChIKey of N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is MMAULCDQVIHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F2N2O2S/c1-10(2)15(9-11(13)14)7-8-16(12(3,4)5)19(6,17)18/h10-11H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide?
N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 300.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 88991668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).