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

C10H18F3N3S — CID 119116672

IUPAC1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine
SMILESC/N=C(\NCCSC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H18F3N3S/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)
InChIKeyJIIJGZXCKIFWIH-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.35
Rot. Bonds4

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

1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine (PubChem CID 119116672) has the molecular formula C10H18F3N3S and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine
PubChem CID119116672
Molecular FormulaC10H18F3N3S
Molecular Weight269.34 g/mol
Exact Mass269.12
IUPAC Name1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine
SMILESC/N=C(\NCCSC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H18F3N3S/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)
InChIKeyJIIJGZXCKIFWIH-UHFFFAOYSA-N
XLogP2.35
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.35
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'}

Analyze 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide
CID 119116671
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-cyclopropyl-3-(2-fluoroethyl)-2-methylguanidine
CID 130774185
1-cyclopentyl-2-methyl-3-[2-(4-methylphenyl)sulfanylethyl]guanidine;hydroiodide
CID 110992038
1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111790988
1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 110991153
1-(2-tert-butylsulfonylethyl)-3-cyclohexyl-2-methylguanidine
CID 111573769
N-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110990591
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine (CID 119116672) is 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine is C/N=C(\NCCSC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine?
The InChIKey is JIIJGZXCKIFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3S/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).
What are the key properties of 1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine?
1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine has a molecular weight of 269.34 g/mol, XLogP of 2.35, 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 is sourced from PubChem (CID 119116672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).