N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine

C18H26N2S — CID 155088007

IUPACN-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)c(-c2cccc(NCS(C)(C)C)n2)c(C)c1
InChIInChI=1S/C18H26N2S/c1-13-10-14(2)18(15(3)11-13)16-8-7-9-17(20-16)19-12-21(4,5)6/h7-11H,12H2,1-6H3,(H,19,20)
InChIKeyQSQOXFHIBQLGSI-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.74
Rot. Bonds4

About N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine

N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine (PubChem CID 155088007) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine
PubChem CID155088007
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)c(-c2cccc(NCS(C)(C)C)n2)c(C)c1
InChIInChI=1S/C18H26N2S/c1-13-10-14(2)18(15(3)11-13)16-8-7-9-17(20-16)19-12-21(4,5)6/h7-11H,12H2,1-6H3,(H,19,20)
InChIKeyQSQOXFHIBQLGSI-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
The IUPAC name of N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine (CID 155088007) is N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine.
What is the SMILES notation for N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
The canonical SMILES for N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine is Cc1cc(C)c(-c2cccc(NCS(C)(C)C)n2)c(C)c1.
What is the InChIKey of N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
The InChIKey is QSQOXFHIBQLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13-10-14(2)18(15(3)11-13)16-8-7-9-17(20-16)19-12-21(4,5)6/h7-11H,12H2,1-6H3,(H,19,20).
What are the key properties of N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine?
N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine is sourced from PubChem (CID 155088007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).