N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine

C15H14ClFN2S — CID 106534211

IUPACN-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Sc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H14ClFN2S/c16-11-1-4-15(19-9-11)20-14-6-10(5-12(17)7-14)8-18-13-2-3-13/h1,4-7,9,13,18H,2-3,8H2
InChIKeyWNCWTBFRQVMSPZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.28
Rot. Bonds5

About N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine

N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 106534211) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID106534211
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC NameN-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Sc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H14ClFN2S/c16-11-1-4-15(19-9-11)20-14-6-10(5-12(17)7-14)8-18-13-2-3-13/h1,4-7,9,13,18H,2-3,8H2
InChIKeyWNCWTBFRQVMSPZ-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 106534221
N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 106533983
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63808973
N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine
CID 114864888
N-[(3-butan-2-ylsulfanyl-5-fluorophenyl)methyl]cyclopropanamine
CID 106533935
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide
CID 54575644
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine (CID 106534211) is N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(Sc2ccc(Cl)cn2)c1.
What is the InChIKey of N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is WNCWTBFRQVMSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c16-11-1-4-15(19-9-11)20-14-6-10(5-12(17)7-14)8-18-13-2-3-13/h1,4-7,9,13,18H,2-3,8H2.
What are the key properties of N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine?
N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 308.81 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106534211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).