2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine

C14H16N2OS — CID 114057606

IUPAC2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESCOc1ccc(Sc2ncccc2CCN)cc1
InChIInChI=1S/C14H16N2OS/c1-17-12-4-6-13(7-5-12)18-14-11(8-9-15)3-2-10-16-14/h2-7,10H,8-9,15H2,1H3
InChIKeyCXZZNROZCVWHIC-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine

2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine (PubChem CID 114057606) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
PubChem CID114057606
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESCOc1ccc(Sc2ncccc2CCN)cc1
InChIInChI=1S/C14H16N2OS/c1-17-12-4-6-13(7-5-12)18-14-11(8-9-15)3-2-10-16-14/h2-7,10H,8-9,15H2,1H3
InChIKeyCXZZNROZCVWHIC-UHFFFAOYSA-N
XLogP2.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylsulfanyl-3-pyridinyl)ethanamine
CID 84765480
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528979
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057620
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528942
3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 1471715
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
CID 55155886
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide
CID 6975832
[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-propan-2-ylcarbamate
CID 1476629
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine (CID 114057606) is 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine is COc1ccc(Sc2ncccc2CCN)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine?
The InChIKey is CXZZNROZCVWHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-12-4-6-13(7-5-12)18-14-11(8-9-15)3-2-10-16-14/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine?
2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine has a molecular weight of 260.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 114057606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).