6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine

C17H22N2OS — CID 63538558

IUPAC6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
SMILESCc1cccc(CSc2ccc(N)c(OCC(C)C)n2)c1
InChIInChI=1S/C17H22N2OS/c1-12(2)10-20-17-15(18)7-8-16(19-17)21-11-14-6-4-5-13(3)9-14/h4-9,12H,10-11,18H2,1-3H3
InChIKeyXRYVJFBPUGMHJW-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.30
Rot. Bonds6

About 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine

6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine (PubChem CID 63538558) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
PubChem CID63538558
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
SMILESCc1cccc(CSc2ccc(N)c(OCC(C)C)n2)c1
InChIInChI=1S/C17H22N2OS/c1-12(2)10-20-17-15(18)7-8-16(19-17)21-11-14-6-4-5-13(3)9-14/h4-9,12H,10-11,18H2,1-3H3
InChIKeyXRYVJFBPUGMHJW-UHFFFAOYSA-N
XLogP4.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 63538557
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
6-(3-bromophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 63536884
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 81138237
6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 43262736
2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
CID 115382764
2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine
CID 63537558
2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
5-iodo-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 66081378
2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261762
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
N'-hydroxy-6-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboximidamide
CID 76948880

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
The IUPAC name of 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine (CID 63538558) is 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine is Cc1cccc(CSc2ccc(N)c(OCC(C)C)n2)c1.
What is the InChIKey of 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
The InChIKey is XRYVJFBPUGMHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)10-20-17-15(18)7-8-16(19-17)21-11-14-6-4-5-13(3)9-14/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine has a molecular weight of 302.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine is sourced from PubChem (CID 63538558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).