N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

C9H16F3NS — CID 116627222

IUPACN-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCNC1CCC(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NS/c1-13-8-3-2-7(6-8)4-5-14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyROBUDCJYRSFCMR-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 116627222) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID116627222
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC NameN-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCNC1CCC(CCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NS/c1-13-8-3-2-7(6-8)4-5-14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyROBUDCJYRSFCMR-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
N-ethyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)cyclopentan-1-amine
CID 156058190
2-[[3-[2-[[(3,3-Difluorocyclobutyl)amino]methylsulfanyl]propyl]cyclopentyl]amino]propane-2-thiol
CID 166714677
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758290
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758494
N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760023

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (CID 116627222) is N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is CNC1CCC(CCSC(F)(F)F)C1.
What is the InChIKey of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is ROBUDCJYRSFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-13-8-3-2-7(6-8)4-5-14-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 116627222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).