5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine

C11H17ClN2S — CID 112663613

IUPAC5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine
SMILESCSCCN(C)c1cc(C)ncc1CCl
InChIInChI=1S/C11H17ClN2S/c1-9-6-11(10(7-12)8-13-9)14(2)4-5-15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyQFTIAQWMBOLOFX-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.93
Rot. Bonds5

About 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine

5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine (PubChem CID 112663613) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine
PubChem CID112663613
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine
SMILESCSCCN(C)c1cc(C)ncc1CCl
InChIInChI=1S/C11H17ClN2S/c1-9-6-11(10(7-12)8-13-9)14(2)4-5-15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyQFTIAQWMBOLOFX-UHFFFAOYSA-N
XLogP2.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine (CID 112663613) is 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine is CSCCN(C)c1cc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine?
The InChIKey is QFTIAQWMBOLOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-9-6-11(10(7-12)8-13-9)14(2)4-5-15-3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine?
5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine has a molecular weight of 244.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine is sourced from PubChem (CID 112663613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).