6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine

C14H15ClN2S — CID 114791858

IUPAC6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CSCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2S/c1-16-14-4-2-3-13(17-14)10-18-9-11-5-7-12(15)8-6-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyJCPVXTFNIWJZFA-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.21
Rot. Bonds5

About 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine

6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 114791858) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID114791858
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CSCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2S/c1-16-14-4-2-3-13(17-14)10-18-9-11-5-7-12(15)8-6-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyJCPVXTFNIWJZFA-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine (CID 114791858) is 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine is CNc1cccc(CSCc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is JCPVXTFNIWJZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-16-14-4-2-3-13(17-14)10-18-9-11-5-7-12(15)8-6-11/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 278.81 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 114791858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).