N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine

C16H20N2S — CID 79239474

IUPACN-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1cccc(CSc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H20N2S/c1-12(2)13-7-9-15(10-8-13)19-11-14-5-4-6-16(17-3)18-14/h4-10,12H,11H2,1-3H3,(H,17,18)
InChIKeyAJRCLNKHYWHERD-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.54
Rot. Bonds5

About N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine

N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 79239474) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID79239474
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1cccc(CSc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H20N2S/c1-12(2)13-7-9-15(10-8-13)19-11-14-5-4-6-16(17-3)18-14/h4-10,12H,11H2,1-3H3,(H,17,18)
InChIKeyAJRCLNKHYWHERD-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine (CID 79239474) is N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine is CNc1cccc(CSc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is AJRCLNKHYWHERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12(2)13-7-9-15(10-8-13)19-11-14-5-4-6-16(17-3)18-14/h4-10,12H,11H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine?
N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 79239474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).