2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride

C9H15ClN2OS — CID 86262476

IUPAC2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride
SMILESCl.NCCOCCSc1ccccn1
InChIInChI=1S/C9H14N2OS.ClH/c10-4-6-12-7-8-13-9-3-1-2-5-11-9;/h1-3,5H,4,6-8,10H2;1H
InChIKeyQCVIIMUIMDCXBP-UHFFFAOYSA-N
MW234.75 g/mol
LogP1.57
Rot. Bonds6

About 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride

2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride (PubChem CID 86262476) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride
PubChem CID86262476
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride
SMILESCl.NCCOCCSc1ccccn1
InChIInChI=1S/C9H14N2OS.ClH/c10-4-6-12-7-8-13-9-3-1-2-5-11-9;/h1-3,5H,4,6-8,10H2;1H
InChIKeyQCVIIMUIMDCXBP-UHFFFAOYSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
2-(4-Morpholinyl)-2-oxoethyl 2-pyridinyl sulfide
CID 592408
Ethyl 2-(pyridin-2-ylthio)acetate
CID 6464675
2-(2-Pyridylthio)ethan-1-ol
CID 2774933
1-Isopropoxy-3-(2-pyridinylthio)-2-propanol
CID 4987134
Ethyl [(2-pyridinylthio)acetyl]carbamate
CID 2216794
Methyl 2-{[2-(2-pyridylthio)acetyl]amino}acetate
CID 2729282
2-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7774835
2-((2-Aminoethyl)disulfanyl)pyridine hydrochloride
CID 13985234
2-((2-Aminoethyl)disulfanyl)pyridine hydrochloride
CID 13985234
2-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile
CID 7774832

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride (CID 86262476) is 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride is Cl.NCCOCCSc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride?
The InChIKey is QCVIIMUIMDCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.ClH/c10-4-6-12-7-8-13-9-3-1-2-5-11-9;/h1-3,5H,4,6-8,10H2;1H.
What are the key properties of 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride?
2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride has a molecular weight of 234.75 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride is sourced from PubChem (CID 86262476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).