N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine

C10H17F2N3O2S — CID 79552357

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCc1nccn1C(F)F)S(C)(=O)=O
InChIInChI=1S/C10H17F2N3O2S/c1-10(2,18(3,16)17)7-13-6-8-14-4-5-15(8)9(11)12/h4-5,9,13H,6-7H2,1-3H3
InChIKeyIZJQQZGCTHBZLG-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.19
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 79552357) has the molecular formula C10H17F2N3O2S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID79552357
Molecular FormulaC10H17F2N3O2S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCc1nccn1C(F)F)S(C)(=O)=O
InChIInChI=1S/C10H17F2N3O2S/c1-10(2,18(3,16)17)7-13-6-8-14-4-5-15(8)9(11)12/h4-5,9,13H,6-7H2,1-3H3
InChIKeyIZJQQZGCTHBZLG-UHFFFAOYSA-N
XLogP1.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
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
1-Ethyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 71310875
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CID 11475374
1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
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
(NE)-N-[[1-methyl-3-(3-methylsulfonylpropyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002006
(NE)-N-[[1-ethyl-3-(3-methylsulfonylpropyl)imidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002051

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 79552357) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(CNCc1nccn1C(F)F)S(C)(=O)=O.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is IZJQQZGCTHBZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2S/c1-10(2,18(3,16)17)7-13-6-8-14-4-5-15(8)9(11)12/h4-5,9,13H,6-7H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 281.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79552357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).