2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine

C10H14Cl2N2S — CID 66217376

IUPAC2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine
SMILESCc1cc(Cl)c(CSC(C)CN)c(Cl)n1
InChIInChI=1S/C10H14Cl2N2S/c1-6-3-9(11)8(10(12)14-6)5-15-7(2)4-13/h3,7H,4-5,13H2,1-2H3
InChIKeyPHWHNCSBEXUEKO-UHFFFAOYSA-N
MW265.21 g/mol
LogP3.28
Rot. Bonds4

About 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine

2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine (PubChem CID 66217376) has the molecular formula C10H14Cl2N2S and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine
PubChem CID66217376
Molecular FormulaC10H14Cl2N2S
Molecular Weight265.21 g/mol
Exact Mass264.03
IUPAC Name2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine
SMILESCc1cc(Cl)c(CSC(C)CN)c(Cl)n1
InChIInChI=1S/C10H14Cl2N2S/c1-6-3-9(11)8(10(12)14-6)5-15-7(2)4-13/h3,7H,4-5,13H2,1-2H3
InChIKeyPHWHNCSBEXUEKO-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine (CID 66217376) is 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine is Cc1cc(Cl)c(CSC(C)CN)c(Cl)n1.
What is the InChIKey of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine?
The InChIKey is PHWHNCSBEXUEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2S/c1-6-3-9(11)8(10(12)14-6)5-15-7(2)4-13/h3,7H,4-5,13H2,1-2H3.
What are the key properties of 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine?
2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine has a molecular weight of 265.21 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66217376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).