[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine

C16H20N2S — CID 43528979

IUPAC[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(Sc2ncccc2CN)cc1
InChIInChI=1S/C16H20N2S/c1-16(2,3)13-6-8-14(9-7-13)19-15-12(11-17)5-4-10-18-15/h4-10H,11,17H2,1-3H3
InChIKeyONUNWESKSCZCHQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.99
Rot. Bonds3

About [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine

[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 43528979) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine
PubChem CID43528979
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(Sc2ncccc2CN)cc1
InChIInChI=1S/C16H20N2S/c1-16(2,3)13-6-8-14(9-7-13)19-15-12(11-17)5-4-10-18-15/h4-10H,11,17H2,1-3H3
InChIKeyONUNWESKSCZCHQ-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine (CID 43528979) is [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine is CC(C)(C)c1ccc(Sc2ncccc2CN)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is ONUNWESKSCZCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-16(2,3)13-6-8-14(9-7-13)19-15-12(11-17)5-4-10-18-15/h4-10H,11,17H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine?
[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 272.42 g/mol, XLogP of 3.99, 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-3-pyridinyl]methanamine is sourced from PubChem (CID 43528979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).