N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine

C15H15ClN2S — CID 114865036

IUPACN-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)c(Sc2ccncc2)c1
InChIInChI=1S/C15H15ClN2S/c16-12-2-1-11(10-18-13-3-4-13)15(9-12)19-14-5-7-17-8-6-14/h1-2,5-9,13,18H,3-4,10H2
InChIKeyYNFZOGUAOPSSHJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.14
Rot. Bonds5

About N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine

N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine (PubChem CID 114865036) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
PubChem CID114865036
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC NameN-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)c(Sc2ccncc2)c1
InChIInChI=1S/C15H15ClN2S/c16-12-2-1-11(10-18-13-3-4-13)15(9-12)19-14-5-7-17-8-6-14/h1-2,5-9,13,18H,3-4,10H2
InChIKeyYNFZOGUAOPSSHJ-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 114864936
N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 81158961
2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 114864238
N-[[4-bromo-2-(2,5-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805767
N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine
CID 114864888
N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine
CID 114865041
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165124
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine (CID 114865036) is N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine is Clc1ccc(CNC2CC2)c(Sc2ccncc2)c1.
What is the InChIKey of N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The InChIKey is YNFZOGUAOPSSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c16-12-2-1-11(10-18-13-3-4-13)15(9-12)19-14-5-7-17-8-6-14/h1-2,5-9,13,18H,3-4,10H2.
What are the key properties of N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine has a molecular weight of 290.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 114865036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).