1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine

C18H24N2S — CID 80628313

IUPAC1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C18H24N2S/c1-13-10-14(11-19-5)12-20-17(13)21-16-8-6-15(7-9-16)18(2,3)4/h6-10,12,19H,11H2,1-5H3
InChIKeyNDHXUFSSFGSRMB-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.56
Rot. Bonds4

About 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80628313) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80628313
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Sc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C18H24N2S/c1-13-10-14(11-19-5)12-20-17(13)21-16-8-6-15(7-9-16)18(2,3)4/h6-10,12,19H,11H2,1-5H3
InChIKeyNDHXUFSSFGSRMB-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80628313) is 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Sc2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is NDHXUFSSFGSRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13-10-14(11-19-5)12-20-17(13)21-16-8-6-15(7-9-16)18(2,3)4/h6-10,12,19H,11H2,1-5H3.
What are the key properties of 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80628313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).