2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine

C8H12N2OS — CID 100924247

IUPAC2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESOSCCNCc1ccccn1
InChIInChI=1S/C8H12N2OS/c11-12-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2
InChIKeyMZYBRWSLEFMFJL-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.38
Rot. Bonds5

About 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine

2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 100924247) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID100924247
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESOSCCNCc1ccccn1
InChIInChI=1S/C8H12N2OS/c11-12-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2
InChIKeyMZYBRWSLEFMFJL-UHFFFAOYSA-N
XLogP1.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-(pyridin-2-ylmethyl)-2-pyridin-4-ylsulfanylethanamine
CID 54215186
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-(pyridin-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 62579417
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62576622
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine (CID 100924247) is 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine is OSCCNCc1ccccn1.
What is the InChIKey of 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is MZYBRWSLEFMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-12-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2.
What are the key properties of 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 184.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 100924247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).