5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine

C14H16N2S — CID 62766078

IUPAC5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
SMILESCc1cccc(CSCc2ccc(N)nc2)c1
InChIInChI=1S/C14H16N2S/c1-11-3-2-4-12(7-11)9-17-10-13-5-6-14(15)16-8-13/h2-8H,9-10H2,1H3,(H2,15,16)
InChIKeyWGBGWNAKAYIXIL-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.41
Rot. Bonds4

About 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine

5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine (PubChem CID 62766078) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
PubChem CID62766078
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
SMILESCc1cccc(CSCc2ccc(N)nc2)c1
InChIInChI=1S/C14H16N2S/c1-11-3-2-4-12(7-11)9-17-10-13-5-6-14(15)16-8-13/h2-8H,9-10H2,1H3,(H2,15,16)
InChIKeyWGBGWNAKAYIXIL-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 104809988
[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062082
5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 112655209
2-chloro-5-[(3-methylphenyl)methylsulfanylmethyl]-1,3-thiazole
CID 79770670
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
[4-[(3-methylphenyl)methylsulfanylmethyl]phenyl]boronic acid
CID 55113124
[2-fluoro-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107880544
2-chloro-3-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 62770937
[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 62764191
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
4-[(3-methylphenyl)methylsulfanylmethyl]benzenecarboximidamide
CID 62770754
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine (CID 62766078) is 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine is Cc1cccc(CSCc2ccc(N)nc2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
The InChIKey is WGBGWNAKAYIXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11-3-2-4-12(7-11)9-17-10-13-5-6-14(15)16-8-13/h2-8H,9-10H2,1H3,(H2,15,16).
What are the key properties of 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine has a molecular weight of 244.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62766078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).