(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine

C13H14N2S — CID 114769845

IUPAC(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
SMILESCc1cc(CN)cc(Sc2ccccc2)n1
InChIInChI=1S/C13H14N2S/c1-10-7-11(9-14)8-13(15-10)16-12-5-3-2-4-6-12/h2-8H,9,14H2,1H3
InChIKeyUXRIEQWABOMTGC-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.00
Rot. Bonds3

About (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine

(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine (PubChem CID 114769845) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
PubChem CID114769845
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
SMILESCc1cc(CN)cc(Sc2ccccc2)n1
InChIInChI=1S/C13H14N2S/c1-10-7-11(9-14)8-13(15-10)16-12-5-3-2-4-6-12/h2-8H,9,14H2,1H3
InChIKeyUXRIEQWABOMTGC-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

[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769868
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769914
(2-methyl-6-pyrazin-2-ylsulfanyl-4-pyridinyl)methanamine
CID 114769896
[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
CID 114769847
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
5-[[4-(aminomethyl)-6-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114769899
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methylsulfanylphenyl]methanamine
CID 102925284

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine?
The IUPAC name of (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine (CID 114769845) is (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine?
The canonical SMILES for (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine is Cc1cc(CN)cc(Sc2ccccc2)n1.
What is the InChIKey of (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine?
The InChIKey is UXRIEQWABOMTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-7-11(9-14)8-13(15-10)16-12-5-3-2-4-6-12/h2-8H,9,14H2,1H3.
What are the key properties of (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine?
(2-methyl-6-phenylsulfanyl-4-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 (2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine is sourced from PubChem (CID 114769845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).