N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine

C14H17FN4S — CID 66193596

IUPACN-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccccc1SCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H17FN4S/c15-13-3-1-2-4-14(13)20-8-7-19-10-12(17-18-19)9-16-11-5-6-11/h1-4,10-11,16H,5-9H2
InChIKeyABTHIJDSPYUARQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.46
Rot. Bonds7

About N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66193596) has the molecular formula C14H17FN4S and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66193596
Molecular FormulaC14H17FN4S
Molecular Weight292.38 g/mol
Exact Mass292.12
IUPAC NameN-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccccc1SCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H17FN4S/c15-13-3-1-2-4-14(13)20-8-7-19-10-12(17-18-19)9-16-11-5-6-11/h1-4,10-11,16H,5-9H2
InChIKeyABTHIJDSPYUARQ-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide
CID 102109804
4-(Bromomethyl)-1-[2-(4-fluorophenyl)sulfanylethyl]triazole
CID 55071343
4-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 55211102
[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanamine
CID 62053941
[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanamine
CID 62053975
[1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]triazol-4-yl]methanamine
CID 62054273
1-[2-(2-Fluorophenyl)sulfanylethyl]pyrazol-4-amine
CID 62138276
1-[2-(4-Fluorophenyl)sulfanylethyl]pyrazol-4-amine
CID 62138652
4-(Chloromethyl)-1-[2-(4-fluorophenyl)sulfanylethyl]triazole
CID 62400076
4-(Bromomethyl)-1-[2-(2-fluorophenyl)sulfanylethyl]triazole
CID 62400480
4-(Chloromethyl)-1-[2-(2-fluorophenyl)sulfanylethyl]triazole
CID 62401006
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 62755408

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine (CID 66193596) is N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine is Fc1ccccc1SCCn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ABTHIJDSPYUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S/c15-13-3-1-2-4-14(13)20-8-7-19-10-12(17-18-19)9-16-11-5-6-11/h1-4,10-11,16H,5-9H2.
What are the key properties of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 292.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66193596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).