1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide

C13H18F2N4O2S — CID 75450388

IUPAC1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)CC1(C#N)CCCC1
InChIInChI=1S/C13H18F2N4O2S/c1-18(8-11-17-6-7-19(11)12(14)15)22(20,21)10-13(9-16)4-2-3-5-13/h6-7,12H,2-5,8,10H2,1H3
InChIKeyQSGATJACOVLZLY-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.12
Rot. Bonds6

About 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide

1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 75450388) has the molecular formula C13H18F2N4O2S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID75450388
Molecular FormulaC13H18F2N4O2S
Molecular Weight332.38 g/mol
Exact Mass332.11
IUPAC Name1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)CC1(C#N)CCCC1
InChIInChI=1S/C13H18F2N4O2S/c1-18(8-11-17-6-7-19(11)12(14)15)22(20,21)10-13(9-16)4-2-3-5-13/h6-7,12H,2-5,8,10H2,1H3
InChIKeyQSGATJACOVLZLY-UHFFFAOYSA-N
XLogP2.12
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]sulfonylbutanenitrile
CID 71857301
1-(1-bicyclo[2.2.1]heptanyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide
CID 128469585
N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide
CID 136540368
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,2,3-trimethylbutane-1-sulfonamide
CID 136558878
4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide
CID 138013488
1-Ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile
CID 171929199
1-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propane-1-sulfonamide
CID 65565188
1-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 65565189
3-[2-(1-Methylimidazol-2-yl)ethyl]-1,1-dioxothiolane-3-carbonitrile
CID 114532573
4-[3-[(1-Methylimidazol-2-yl)methyl]piperidin-1-yl]sulfonylbutanenitrile
CID 137850213

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide (CID 75450388) is 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide is CN(Cc1nccn1C(F)F)S(=O)(=O)CC1(C#N)CCCC1.
What is the InChIKey of 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is QSGATJACOVLZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O2S/c1-18(8-11-17-6-7-19(11)12(14)15)22(20,21)10-13(9-16)4-2-3-5-13/h6-7,12H,2-5,8,10H2,1H3.
What are the key properties of 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide?
1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 75450388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).