[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine

C17H22N2S — CID 114769868

IUPAC[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H22N2S/c1-12-9-13(11-18)10-16(19-12)20-15-7-5-14(6-8-15)17(2,3)4/h5-10H,11,18H2,1-4H3
InChIKeyJEZLOYUBOKAARM-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.30
Rot. Bonds3

About [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine

[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine (PubChem CID 114769868) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
PubChem CID114769868
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H22N2S/c1-12-9-13(11-18)10-16(19-12)20-15-7-5-14(6-8-15)17(2,3)4/h5-10H,11,18H2,1-4H3
InChIKeyJEZLOYUBOKAARM-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
CID 114769845
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
CID 81037160
[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-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
CID 114769847
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102926160
6-(4-tert-butylphenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893059
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine (CID 114769868) is [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine is Cc1cc(CN)cc(Sc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The InChIKey is JEZLOYUBOKAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12-9-13(11-18)10-16(19-12)20-15-7-5-14(6-8-15)17(2,3)4/h5-10H,11,18H2,1-4H3.
What are the key properties of [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
[2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine has a molecular weight of 286.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 114769868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).