6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine

C14H16N2S — CID 79239222

IUPAC6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccc(SCc2cccc(N)n2)cc1C
InChIInChI=1S/C14H16N2S/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(15)16-12/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyKCDNUAHEAZYPNX-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.57
Rot. Bonds3

About 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine

6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 79239222) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID79239222
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccc(SCc2cccc(N)n2)cc1C
InChIInChI=1S/C14H16N2S/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(15)16-12/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyKCDNUAHEAZYPNX-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine (CID 79239222) is 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine is Cc1ccc(SCc2cccc(N)n2)cc1C.
What is the InChIKey of 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is KCDNUAHEAZYPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(15)16-12/h3-8H,9H2,1-2H3,(H2,15,16).
What are the key properties of 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine?
6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 244.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 79239222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).