N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide

C13H22F2N4O2S — CID 78899384

IUPACN-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C13H22F2N4O2S/c1-22(20,21)17-6-5-11-4-2-3-8-18(11)10-12-16-7-9-19(12)13(14)15/h7,9,11,13,17H,2-6,8,10H2,1H3
InChIKeyBEKMCSMOADVZQE-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.57
Rot. Bonds7

About N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 78899384) has the molecular formula C13H22F2N4O2S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID78899384
Molecular FormulaC13H22F2N4O2S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC NameN-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1Cc1nccn1C(F)F
InChIInChI=1S/C13H22F2N4O2S/c1-22(20,21)17-6-5-11-4-2-3-8-18(11)10-12-16-7-9-19(12)13(14)15/h7,9,11,13,17H,2-6,8,10H2,1H3
InChIKeyBEKMCSMOADVZQE-UHFFFAOYSA-N
XLogP1.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 78899384) is N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCCN1Cc1nccn1C(F)F.
What is the InChIKey of N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is BEKMCSMOADVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O2S/c1-22(20,21)17-6-5-11-4-2-3-8-18(11)10-12-16-7-9-19(12)13(14)15/h7,9,11,13,17H,2-6,8,10H2,1H3.
What are the key properties of N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 78899384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).