5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine

C13H21ClN2OS — CID 55262087

IUPAC5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCCCOC)n1
InChIInChI=1S/C13H21ClN2OS/c1-3-7-15-13-6-5-11(14)12(16-13)10-18-9-4-8-17-2/h5-6H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeySRGQLPAUMKOLAC-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.83
Rot. Bonds9

About 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine

5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine (PubChem CID 55262087) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
PubChem CID55262087
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCCCOC)n1
InChIInChI=1S/C13H21ClN2OS/c1-3-7-15-13-6-5-11(14)12(16-13)10-18-9-4-8-17-2/h5-6H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeySRGQLPAUMKOLAC-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine (CID 55262087) is 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CSCCCOC)n1.
What is the InChIKey of 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine?
The InChIKey is SRGQLPAUMKOLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-3-7-15-13-6-5-11(14)12(16-13)10-18-9-4-8-17-2/h5-6H,3-4,7-10H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine?
5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine has a molecular weight of 288.84 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 55262087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).