N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine

C15H16Cl2N2S — CID 80640608

IUPACN-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Sc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C15H16Cl2N2S/c1-2-7-18-9-11-3-6-15(19-10-11)20-14-8-12(16)4-5-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyYDDBTJUIODUYJT-UHFFFAOYSA-N
MW327.28 g/mol
LogP5.04
Rot. Bonds6

About N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80640608) has the molecular formula C15H16Cl2N2S and a molecular weight of 327.28 g/mol. Its IUPAC name is N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID80640608
Molecular FormulaC15H16Cl2N2S
Molecular Weight327.28 g/mol
Exact Mass326.04
IUPAC NameN-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Sc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C15H16Cl2N2S/c1-2-7-18-9-11-3-6-15(19-10-11)20-14-8-12(16)4-5-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyYDDBTJUIODUYJT-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.28
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651243
N-[[2-chloro-6-(2,5-dichlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806289
N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 55240767
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 81159693
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63806117
2-methyl-3-[[5-(propylaminomethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651178
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
N-[[4-chloro-2-(2-chlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 114864012

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine (CID 80640608) is N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(Sc2cc(Cl)ccc2Cl)nc1.
What is the InChIKey of N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is YDDBTJUIODUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2S/c1-2-7-18-9-11-3-6-15(19-10-11)20-14-8-12(16)4-5-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3.
What are the key properties of N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 327.28 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80640608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).