1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine

C14H26F2N4O2S — CID 119147709

IUPAC1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCCC1
InChIInChI=1S/C14H26F2N4O2S/c15-13(16)23(21,22)20-8-6-11(7-9-20)10-18-14(17)19-12-4-2-1-3-5-12/h11-13H,1-10H2,(H3,17,18,19)
InChIKeyNKZBNNXLLSLWRW-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.49
Rot. Bonds5

About 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine

1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine (PubChem CID 119147709) has the molecular formula C14H26F2N4O2S and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
PubChem CID119147709
Molecular FormulaC14H26F2N4O2S
Molecular Weight352.45 g/mol
Exact Mass352.17
IUPAC Name1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCCC1
InChIInChI=1S/C14H26F2N4O2S/c15-13(16)23(21,22)20-8-6-11(7-9-20)10-18-14(17)19-12-4-2-1-3-5-12/h11-13H,1-10H2,(H3,17,18,19)
InChIKeyNKZBNNXLLSLWRW-UHFFFAOYSA-N
XLogP1.49
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111560078
2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-1-phenylguanidine
CID 119147719
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119121072
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclohexyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110912489
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
tert-butyl 3-[[[amino-(cycloheptylamino)methylidene]amino]methyl]pyrrolidine-1-carboxylate
CID 110032342
1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111084415
4-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80668701
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
CID 119120109
1-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine (CID 119147709) is 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine is N/C(=N\CC1CCN(S(=O)(=O)C(F)F)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
The InChIKey is NKZBNNXLLSLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N4O2S/c15-13(16)23(21,22)20-8-6-11(7-9-20)10-18-14(17)19-12-4-2-1-3-5-12/h11-13H,1-10H2,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine has a molecular weight of 352.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine is sourced from PubChem (CID 119147709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).