2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H20F3NS — CID 63119998

IUPAC2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)SCC1CCCC1
InChIInChI=1S/C11H20F3NS/c1-9(6-15-8-11(12,13)14)16-7-10-4-2-3-5-10/h9-10,15H,2-8H2,1H3
InChIKeyBLOHGIJDDMWPJQ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.45
Rot. Bonds6

About 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63119998) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63119998
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)SCC1CCCC1
InChIInChI=1S/C11H20F3NS/c1-9(6-15-8-11(12,13)14)16-7-10-4-2-3-5-10/h9-10,15H,2-8H2,1H3
InChIKeyBLOHGIJDDMWPJQ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092267
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64807799
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64807801
3-cyclohexyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 60998000
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102728580
2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 63705999
2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
CID 64711370
2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087361
N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 63115831
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62566700

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63119998) is 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)SCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BLOHGIJDDMWPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-9(6-15-8-11(12,13)14)16-7-10-4-2-3-5-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63119998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).