N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine

C11H18F2N4O2S — CID 43628938

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCc2nccn2C(F)F)CC1
InChIInChI=1S/C11H18F2N4O2S/c1-20(18,19)16-5-2-9(3-6-16)15-8-10-14-4-7-17(10)11(12)13/h4,7,9,11,15H,2-3,5-6,8H2,1H3
InChIKeyKNZZYRWCCANYFG-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.79
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628938) has the molecular formula C11H18F2N4O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID43628938
Molecular FormulaC11H18F2N4O2S
Molecular Weight308.35 g/mol
Exact Mass308.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCc2nccn2C(F)F)CC1
InChIInChI=1S/C11H18F2N4O2S/c1-20(18,19)16-5-2-9(3-6-16)15-8-10-14-4-7-17(10)11(12)13/h4,7,9,11,15H,2-3,5-6,8H2,1H3
InChIKeyKNZZYRWCCANYFG-UHFFFAOYSA-N
XLogP0.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine (CID 43628938) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCc2nccn2C(F)F)CC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is KNZZYRWCCANYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2S/c1-20(18,19)16-5-2-9(3-6-16)15-8-10-14-4-7-17(10)11(12)13/h4,7,9,11,15H,2-3,5-6,8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 308.35 g/mol, XLogP of 0.79, 5 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]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).