(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine

C12H20N2S — CID 107750761

IUPAC(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine
SMILESCC(C)C(C)Sc1ccc([C@H](C)N)nc1
InChIInChI=1S/C12H20N2S/c1-8(2)10(4)15-11-5-6-12(9(3)13)14-7-11/h5-10H,13H2,1-4H3/t9-,10?/m0/s1
InChIKeyRLYLZYZHGDOAAA-RGURZIINSA-N
MW224.37 g/mol
LogP3.24
Rot. Bonds4

About (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine

(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine (PubChem CID 107750761) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine
PubChem CID107750761
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine
SMILESCC(C)C(C)Sc1ccc([C@H](C)N)nc1
InChIInChI=1S/C12H20N2S/c1-8(2)10(4)15-11-5-6-12(9(3)13)14-7-11/h5-10H,13H2,1-4H3/t9-,10?/m0/s1
InChIKeyRLYLZYZHGDOAAA-RGURZIINSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine (CID 107750761) is (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine is CC(C)C(C)Sc1ccc([C@H](C)N)nc1.
What is the InChIKey of (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine?
The InChIKey is RLYLZYZHGDOAAA-RGURZIINSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)10(4)15-11-5-6-12(9(3)13)14-7-11/h5-10H,13H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 107750761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).