2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

C14H21FN2S — CID 65144532

IUPAC2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(CSC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C14H21FN2S/c1-16-14(11-7-12(15)9-17-8-11)10-18-13-5-3-2-4-6-13/h7-9,13-14,16H,2-6,10H2,1H3
InChIKeyIALIRYKXYBTHRH-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.55
Rot. Bonds5

About 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (PubChem CID 65144532) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
PubChem CID65144532
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(CSC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C14H21FN2S/c1-16-14(11-7-12(15)9-17-8-11)10-18-13-5-3-2-4-6-13/h7-9,13-14,16H,2-6,10H2,1H3
InChIKeyIALIRYKXYBTHRH-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
CID 65139697
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
1-(5-fluoro-3-pyridinyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105102526
2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65144434
2-cyclopentylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288991
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288990
[2-cyclohexylsulfanyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105227942
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (CID 65144532) is 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is CNC(CSC1CCCCC1)c1cncc(F)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The InChIKey is IALIRYKXYBTHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-16-14(11-7-12(15)9-17-8-11)10-18-13-5-3-2-4-6-13/h7-9,13-14,16H,2-6,10H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 65144532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).