N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C9H16F6N4O4S2 — CID 175721988

IUPACN,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCNN1C=CN(CC)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H15N3.C2HF6NO4S2/c1-3-8-10-6-5-9(4-2)7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8H,3-4,7H2,1-2H3;9H
InChIKeyVLXFFUKGOOUARX-UHFFFAOYSA-N
MW422.37 g/mol
LogP0.85
Rot. Bonds5

About N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 175721988) has the molecular formula C9H16F6N4O4S2 and a molecular weight of 422.37 g/mol. Its IUPAC name is N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID175721988
Molecular FormulaC9H16F6N4O4S2
Molecular Weight422.37 g/mol
Exact Mass422.05
IUPAC NameN,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCNN1C=CN(CC)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H15N3.C2HF6NO4S2/c1-3-8-10-6-5-9(4-2)7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8H,3-4,7H2,1-2H3;9H
InChIKeyVLXFFUKGOOUARX-UHFFFAOYSA-N
XLogP0.85
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 175721988) is N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCNN1C=CN(CC)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is VLXFFUKGOOUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.C2HF6NO4S2/c1-3-8-10-6-5-9(4-2)7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8H,3-4,7H2,1-2H3;9H.
What are the key properties of N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 422.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 175721988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).