N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide

C10H18F2N4O2S — CID 55256187

IUPACN-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1nccn1C(F)F)NS(C)(=O)=O
InChIInChI=1S/C10H18F2N4O2S/c1-10(2,15-19(3,17)18)7-13-6-8-14-4-5-16(8)9(11)12/h4-5,9,13,15H,6-7H2,1-3H3
InChIKeyANMKKIYBDFSKMN-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.70
Rot. Bonds7

About N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 55256187) has the molecular formula C10H18F2N4O2S and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID55256187
Molecular FormulaC10H18F2N4O2S
Molecular Weight296.34 g/mol
Exact Mass296.11
IUPAC NameN-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1nccn1C(F)F)NS(C)(=O)=O
InChIInChI=1S/C10H18F2N4O2S/c1-10(2,15-19(3,17)18)7-13-6-8-14-4-5-16(8)9(11)12/h4-5,9,13,15H,6-7H2,1-3H3
InChIKeyANMKKIYBDFSKMN-UHFFFAOYSA-N
XLogP0.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-3-methylimidazolium trifluoromethanesulfonate
CID 2734246
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Ethyl-2,3-dimethylimidazolium triflate
CID 16210995
2-Methyl-1-[3-(sulfamoylamino)propyl]imidazole
CID 72713105
1-Butyl-3-ethylimidazolium trifluoromethane sulfonate
CID 87169316
N-[3-(2,3-dimethylimidazol-3-ium-1-yl)propyl]-1,1,1-trifluoro-N-methylmethanesulfonamide chloride
CID 14868946
1,1,1-trifluoro-N-[1-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]butan-2-yl]methanesulfonamide chloride
CID 136001933
Imidazole13nmethyltrifluoromethylsulfonamidoprop
CID 136001969
1,1,1-trifluoro-N-[2-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]ethyl]-N-propylmethanesulfonamide chloride
CID 136001975
1,1,1-trifluoro-N-[1-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]propan-2-yl]methanesulfonamide chloride
CID 136001988

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 55256187) is N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCc1nccn1C(F)F)NS(C)(=O)=O.
What is the InChIKey of N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is ANMKKIYBDFSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4O2S/c1-10(2,15-19(3,17)18)7-13-6-8-14-4-5-16(8)9(11)12/h4-5,9,13,15H,6-7H2,1-3H3.
What are the key properties of N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 296.34 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 55256187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).