N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine

C15H17ClN2S — CID 114865041

IUPACN-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1Sc1ccncc1
InChIInChI=1S/C15H17ClN2S/c1-2-7-18-11-12-10-13(16)3-4-15(12)19-14-5-8-17-9-6-14/h3-6,8-10,18H,2,7,11H2,1H3
InChIKeyFNQOJIIDXPBCHP-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.39
Rot. Bonds6

About N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine

N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine (PubChem CID 114865041) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine
PubChem CID114865041
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC NameN-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1Sc1ccncc1
InChIInChI=1S/C15H17ClN2S/c1-2-7-18-11-12-10-13(16)3-4-15(12)19-14-5-8-17-9-6-14/h3-6,8-10,18H,2,7,11H2,1H3
InChIKeyFNQOJIIDXPBCHP-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-thiophen-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 114863797
N-[[5-chloro-2-[(4-chlorophenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 114865323
5-[4-chloro-2-(propylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114864204
N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 114864109
N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 114865036
N-[(4-chloro-2-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 114864462
N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114864663
N-[(5-chloro-2-phenylsulfanylphenyl)methyl]-3-[4-[3-[(5-chloro-2-phenylsulfanylphenyl)methylamino]propyl]piperazin-1-yl]propan-1-amine
CID 171353186
N-[[4-chloro-2-(2,4-dimethylphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 114864026
N-[(2-butyl-4-chlorophenyl)methyl]propan-1-amine
CID 106659194
N-[[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 106926444

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine (CID 114865041) is N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1Sc1ccncc1.
What is the InChIKey of N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine?
The InChIKey is FNQOJIIDXPBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-2-7-18-11-12-10-13(16)3-4-15(12)19-14-5-8-17-9-6-14/h3-6,8-10,18H,2,7,11H2,1H3.
What are the key properties of N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine?
N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine has a molecular weight of 292.84 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114865041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).