N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide

C11H20F2N4O2S — CID 107493854

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCN)CC(F)F)nc1C
InChIInChI=1S/C11H20F2N4O2S/c1-3-5-16-8-11(15-9(16)2)20(18,19)17(6-4-14)7-10(12)13/h8,10H,3-7,14H2,1-2H3
InChIKeyOKNBGVWEVQJVFI-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.82
Rot. Bonds8

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 107493854) has the molecular formula C11H20F2N4O2S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID107493854
Molecular FormulaC11H20F2N4O2S
Molecular Weight310.37 g/mol
Exact Mass310.13
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCN)CC(F)F)nc1C
InChIInChI=1S/C11H20F2N4O2S/c1-3-5-16-8-11(15-9(16)2)20(18,19)17(6-4-14)7-10(12)13/h8,10H,3-7,14H2,1-2H3
InChIKeyOKNBGVWEVQJVFI-UHFFFAOYSA-N
XLogP0.82
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 107493854) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CCN)CC(F)F)nc1C.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is OKNBGVWEVQJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N4O2S/c1-3-5-16-8-11(15-9(16)2)20(18,19)17(6-4-14)7-10(12)13/h8,10H,3-7,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 310.37 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 107493854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).