N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine

C15H14BrClN2S — CID 114864888

IUPACN-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)c(Sc2ccc(Br)cn2)c1
InChIInChI=1S/C15H14BrClN2S/c16-11-2-6-15(19-9-11)20-14-7-12(17)3-1-10(14)8-18-13-4-5-13/h1-3,6-7,9,13,18H,4-5,8H2
InChIKeyFJGDSYHZJLZINM-UHFFFAOYSA-N
MW369.72 g/mol
LogP4.90
Rot. Bonds5

About N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine

N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine (PubChem CID 114864888) has the molecular formula C15H14BrClN2S and a molecular weight of 369.72 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine
PubChem CID114864888
Molecular FormulaC15H14BrClN2S
Molecular Weight369.72 g/mol
Exact Mass367.97
IUPAC NameN-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)c(Sc2ccc(Br)cn2)c1
InChIInChI=1S/C15H14BrClN2S/c16-11-2-6-15(19-9-11)20-14-7-12(17)3-1-10(14)8-18-13-4-5-13/h1-3,6-7,9,13,18H,4-5,8H2
InChIKeyFJGDSYHZJLZINM-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.72
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114864894
N-[[4-bromo-2-(2,5-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805767
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 114865036
N-[[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 114864936
2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 114864238
N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
CID 106534211
N-[[4-bromo-2-(2,5-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806540
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine (CID 114864888) is N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine is Clc1ccc(CNC2CC2)c(Sc2ccc(Br)cn2)c1.
What is the InChIKey of N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine?
The InChIKey is FJGDSYHZJLZINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2S/c16-11-2-6-15(19-9-11)20-14-7-12(17)3-1-10(14)8-18-13-4-5-13/h1-3,6-7,9,13,18H,4-5,8H2.
What are the key properties of N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine?
N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine has a molecular weight of 369.72 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114864888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).