6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C14H19F3N2S — CID 102720339

IUPAC6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(SC2CCCC2)n1
InChIInChI=1S/C14H19F3N2S/c1-2-7-18-12-8-10(14(15,16)17)9-13(19-12)20-11-5-3-4-6-11/h8-9,11H,2-7H2,1H3,(H,18,19)
InChIKeyOGHHHJGBFQLLGH-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.96
Rot. Bonds5

About 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720339) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720339
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(SC2CCCC2)n1
InChIInChI=1S/C14H19F3N2S/c1-2-7-18-12-8-10(14(15,16)17)9-13(19-12)20-11-5-3-4-6-11/h8-9,11H,2-7H2,1H3,(H,18,19)
InChIKeyOGHHHJGBFQLLGH-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721404
6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719671
2-methyl-3-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102720380
2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716318
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720359
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720410
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720293
6-N-(2-cyclopentylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717681
6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80890105
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720339) is 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(SC2CCCC2)n1.
What is the InChIKey of 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OGHHHJGBFQLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-2-7-18-12-8-10(14(15,16)17)9-13(19-12)20-11-5-3-4-6-11/h8-9,11H,2-7H2,1H3,(H,18,19).
What are the key properties of 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 304.38 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).