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

C14H25F3N4O2S — CID 111560078

IUPAC1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O2S/c15-14(16,17)24(22,23)21-8-6-11(7-9-21)10-19-13(18)20-12-4-2-1-3-5-12/h11-12H,1-10H2,(H3,18,19,20)
InChIKeyOKBSMIRNBYNWBD-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.78
Rot. Bonds4

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

1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine (PubChem CID 111560078) has the molecular formula C14H25F3N4O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
PubChem CID111560078
Molecular FormulaC14H25F3N4O2S
Molecular Weight370.44 g/mol
Exact Mass370.17
IUPAC Name1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O2S/c15-14(16,17)24(22,23)21-8-6-11(7-9-21)10-19-13(18)20-12-4-2-1-3-5-12/h11-12H,1-10H2,(H3,18,19,20)
InChIKeyOKBSMIRNBYNWBD-UHFFFAOYSA-N
XLogP1.78
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.78
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-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 119147709
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119121072
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110912489
1-(3-methylbutyl)-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111810844
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclopentyl-2-methyl-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111826603
1,3-diethyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111118200
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-(2-pyridin-2-ylethyl)-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111559727
1-(3-ethylphenyl)-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111810814
tert-butyl 3-[[[amino-(cycloheptylamino)methylidene]amino]methyl]pyrrolidine-1-carboxylate
CID 110032342

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine (CID 111560078) is 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine is N/C(=N\CC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
The InChIKey is OKBSMIRNBYNWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2S/c15-14(16,17)24(22,23)21-8-6-11(7-9-21)10-19-13(18)20-12-4-2-1-3-5-12/h11-12H,1-10H2,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine?
1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine has a molecular weight of 370.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine is sourced from PubChem (CID 111560078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).