N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine

C11H15F3N2S — CID 114270158

IUPACN-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
SMILESCSCCCCNc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2S/c1-17-7-3-2-5-15-9-4-6-16-10(8-9)11(12,13)14/h4,6,8H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyPPOBOOPQGKEDSI-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.66
Rot. Bonds6

About N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine

N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 114270158) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
PubChem CID114270158
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
SMILESCSCCCCNc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2S/c1-17-7-3-2-5-15-9-4-6-16-10(8-9)11(12,13)14/h4,6,8H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyPPOBOOPQGKEDSI-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylsulfanylbutyl)quinolin-6-amine
CID 103087988
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
3-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72918277
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
CID 141413257
N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine
CID 122156197
4-N-(4-methylsulfanylbutyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565870
3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline
CID 103088379

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine (CID 114270158) is N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine is CSCCCCNc1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is PPOBOOPQGKEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-17-7-3-2-5-15-9-4-6-16-10(8-9)11(12,13)14/h4,6,8H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine?
N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 264.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 114270158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).