(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine

C14H16N2S — CID 83124060

IUPAC(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESCc1cccc(Sc2ccc([C@H](C)N)nc2)c1
InChIInChI=1S/C14H16N2S/c1-10-4-3-5-12(8-10)17-13-6-7-14(11(2)15)16-9-13/h3-9,11H,15H2,1-2H3/t11-/m0/s1
InChIKeyBRMMFCYEAKEVOC-NSHDSACASA-N
MW244.36 g/mol
LogP3.56
Rot. Bonds3

About (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine

(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine (PubChem CID 83124060) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
PubChem CID83124060
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESCc1cccc(Sc2ccc([C@H](C)N)nc2)c1
InChIInChI=1S/C14H16N2S/c1-10-4-3-5-12(8-10)17-13-6-7-14(11(2)15)16-9-13/h3-9,11H,15H2,1-2H3/t11-/m0/s1
InChIKeyBRMMFCYEAKEVOC-NSHDSACASA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.56
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-methylphenyl)sulfanyl-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine (CID 83124060) is (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine is Cc1cccc(Sc2ccc([C@H](C)N)nc2)c1.
What is the InChIKey of (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine?
The InChIKey is BRMMFCYEAKEVOC-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-4-3-5-12(8-10)17-13-6-7-14(11(2)15)16-9-13/h3-9,11H,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine?
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine has a molecular weight of 244.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 83124060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).