N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NS — CID 104844757

IUPACN-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCSC1CCC(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H22F3NS/c1-18-12-7-6-11(8-12)17-10-4-2-9(3-5-10)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyIQTRBRFUKGRLJD-UHFFFAOYSA-N
MW281.39 g/mol
LogP3.98
Rot. Bonds3

About N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844757) has the molecular formula C13H22F3NS and a molecular weight of 281.39 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844757
Molecular FormulaC13H22F3NS
Molecular Weight281.39 g/mol
Exact Mass281.14
IUPAC NameN-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCSC1CCC(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H22F3NS/c1-18-12-7-6-11(8-12)17-10-4-2-9(3-5-10)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyIQTRBRFUKGRLJD-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844757) is N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine is CSC1CCC(NC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is IQTRBRFUKGRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NS/c1-18-12-7-6-11(8-12)17-10-4-2-9(3-5-10)13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).