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

C12H22F3NS — CID 116627275

IUPAC3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCCNC1CCC(C)(CCSC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-3-7-16-10-4-5-11(2,9-10)6-8-17-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyDGJYNMFIGVYWST-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.19
Rot. Bonds6

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

3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 116627275) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID116627275
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCCNC1CCC(C)(CCSC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-3-7-16-10-4-5-11(2,9-10)6-8-17-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyDGJYNMFIGVYWST-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (CID 116627275) is 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is CCCNC1CCC(C)(CCSC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is DGJYNMFIGVYWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-3-7-16-10-4-5-11(2,9-10)6-8-17-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 116627275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).