1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine

C13H20N2OS — CID 62579205

IUPAC1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
SMILESCC(NCCSc1ccccn1)C1CCCO1
InChIInChI=1S/C13H20N2OS/c1-11(12-5-4-9-16-12)14-8-10-17-13-6-2-3-7-15-13/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3
InChIKeyZXAQSJRMGHKKHK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.33
Rot. Bonds6

About 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine

1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine (PubChem CID 62579205) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
PubChem CID62579205
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
SMILESCC(NCCSc1ccccn1)C1CCCO1
InChIInChI=1S/C13H20N2OS/c1-11(12-5-4-9-16-12)14-8-10-17-13-6-2-3-7-15-13/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3
InChIKeyZXAQSJRMGHKKHK-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.33
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-[2-(2,5-dimethylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62584856
N-[2-(4-tert-butylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62579125
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 115479076
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
CID 62577213
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
CID 62577678
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 104531118
N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine
CID 55088183
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115768543
N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598642
1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571805
1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine
CID 107757086

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine (CID 62579205) is 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine is CC(NCCSc1ccccn1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine?
The InChIKey is ZXAQSJRMGHKKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(12-5-4-9-16-12)14-8-10-17-13-6-2-3-7-15-13/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine?
1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine has a molecular weight of 252.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 62579205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).