1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide

C10H19F3IN3S — CID 119116671

IUPAC1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCSC(F)(F)F)NC1CCCC1.I
InChIInChI=1S/C10H18F3N3S.HI/c1-14-9(16-8-4-2-3-5-8)15-6-7-17-10(11,12)13;/h8H,2-7H2,1H3,(H2,14,15,16);1H
InChIKeyZTUBMONGIYTKBC-UHFFFAOYSA-N
MW397.25 g/mol
LogP2.96
Rot. Bonds4

About 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide

1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide (PubChem CID 119116671) has the molecular formula C10H19F3IN3S and a molecular weight of 397.25 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide
PubChem CID119116671
Molecular FormulaC10H19F3IN3S
Molecular Weight397.25 g/mol
Exact Mass397.03
IUPAC Name1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCSC(F)(F)F)NC1CCCC1.I
InChIInChI=1S/C10H18F3N3S.HI/c1-14-9(16-8-4-2-3-5-8)15-6-7-17-10(11,12)13;/h8H,2-7H2,1H3,(H2,14,15,16);1H
InChIKeyZTUBMONGIYTKBC-UHFFFAOYSA-N
XLogP2.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine
CID 119116672
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110958480
1-cyclopentyl-3-[2-(trifluoromethylsulfanyl)ethyl]thiourea
CID 106427137
1-cyclopentyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111833888
1-cyclopentyl-2-methyl-3-[2-(4-methylphenyl)sulfanylethyl]guanidine;hydroiodide
CID 110992038
1-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
CID 130774185
2-methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778538
1-cyclohexyl-2-methyl-3-pent-3-enylguanidine;hydroiodide
CID 111587838
1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111790988
1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 110991153
2-methyl-1-(3-methylsulfanylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111997298
1-(2-tert-butylsulfonylethyl)-3-cyclohexyl-2-methylguanidine
CID 111573769

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide (CID 119116671) is 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide is C/N=C(\NCCSC(F)(F)F)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide?
The InChIKey is ZTUBMONGIYTKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3S.HI/c1-14-9(16-8-4-2-3-5-8)15-6-7-17-10(11,12)13;/h8H,2-7H2,1H3,(H2,14,15,16);1H.
What are the key properties of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide?
1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide has a molecular weight of 397.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).