(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine

C17H23N3OS — CID 59849380

IUPAC(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine
SMILESCC(C)(C)c1cncc(OC[C@@H](N)CSc2ccccn2)c1
InChIInChI=1S/C17H23N3OS/c1-17(2,3)13-8-15(10-19-9-13)21-11-14(18)12-22-16-6-4-5-7-20-16/h4-10,14H,11-12,18H2,1-3H3/t14-/m1/s1
InChIKeyYOMZSXXNGLCGKK-CQSZACIVSA-N
MW317.46 g/mol
LogP3.27
Rot. Bonds6

About (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine

(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine (PubChem CID 59849380) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine
PubChem CID59849380
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine
SMILESCC(C)(C)c1cncc(OC[C@@H](N)CSc2ccccn2)c1
InChIInChI=1S/C17H23N3OS/c1-17(2,3)13-8-15(10-19-9-13)21-11-14(18)12-22-16-6-4-5-7-20-16/h4-10,14H,11-12,18H2,1-3H3/t14-/m1/s1
InChIKeyYOMZSXXNGLCGKK-CQSZACIVSA-N
XLogP3.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine?
The IUPAC name of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine (CID 59849380) is (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine?
The canonical SMILES for (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine is CC(C)(C)c1cncc(OC[C@@H](N)CSc2ccccn2)c1.
What is the InChIKey of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine?
The InChIKey is YOMZSXXNGLCGKK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-17(2,3)13-8-15(10-19-9-13)21-11-14(18)12-22-16-6-4-5-7-20-16/h4-10,14H,11-12,18H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine?
(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine has a molecular weight of 317.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 59849380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).