[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine

C13H14N2S — CID 64588783

IUPAC[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine
SMILESCc1cccc(Sc2cccc(CN)n2)c1
InChIInChI=1S/C13H14N2S/c1-10-4-2-6-12(8-10)16-13-7-3-5-11(9-14)15-13/h2-8H,9,14H2,1H3
InChIKeyQLWSPFSBEKZCKO-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.00
Rot. Bonds3

About [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine

[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine (PubChem CID 64588783) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine
PubChem CID64588783
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine
SMILESCc1cccc(Sc2cccc(CN)n2)c1
InChIInChI=1S/C13H14N2S/c1-10-4-2-6-12(8-10)16-13-7-3-5-11(9-14)15-13/h2-8H,9,14H2,1H3
InChIKeyQLWSPFSBEKZCKO-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
CID 64587188
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80923478
[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
CID 115478659
(6-pyrimidin-2-ylsulfanyl-2-pyridinyl)methanamine
CID 64589576
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
5-(3-methylphenyl)sulfanylpyrazin-2-amine
CID 80664435
[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 114884661
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118906

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine?
The IUPAC name of [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine (CID 64588783) is [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine?
The canonical SMILES for [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine is Cc1cccc(Sc2cccc(CN)n2)c1.
What is the InChIKey of [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine?
The InChIKey is QLWSPFSBEKZCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-4-2-6-12(8-10)16-13-7-3-5-11(9-14)15-13/h2-8H,9,14H2,1H3.
What are the key properties of [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine?
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine has a molecular weight of 230.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine is sourced from PubChem (CID 64588783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).