[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine

C13H13ClN2S — CID 103288916

IUPAC[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine
SMILESNCc1ccncc1SCc1ccccc1Cl
InChIInChI=1S/C13H13ClN2S/c14-12-4-2-1-3-11(12)9-17-13-8-16-6-5-10(13)7-15/h1-6,8H,7,9,15H2
InChIKeyAUKASKANWOQNTK-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.49
Rot. Bonds4

About [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine

[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine (PubChem CID 103288916) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine
PubChem CID103288916
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine
SMILESNCc1ccncc1SCc1ccccc1Cl
InChIInChI=1S/C13H13ClN2S/c14-12-4-2-1-3-11(12)9-17-13-8-16-6-5-10(13)7-15/h1-6,8H,7,9,15H2
InChIKeyAUKASKANWOQNTK-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
CID 107306654
[5-[(3-chloro-4-pyridinyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629974
[2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylphenyl]methanamine
CID 103288923
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine
CID 103290890
[3-chloro-2-[(2-methylphenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 107061189
3-chloro-4-(methylsulfanylmethyl)pyridine
CID 126992001
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118927
[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
CID 114216987
2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
CID 103288225

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine?
The IUPAC name of [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine (CID 103288916) is [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine?
The canonical SMILES for [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine is NCc1ccncc1SCc1ccccc1Cl.
What is the InChIKey of [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine?
The InChIKey is AUKASKANWOQNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-12-4-2-1-3-11(12)9-17-13-8-16-6-5-10(13)7-15/h1-6,8H,7,9,15H2.
What are the key properties of [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine?
[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine has a molecular weight of 264.78 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine is sourced from PubChem (CID 103288916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).