2-pyridin-2-yl-2-(thian-4-yl)ethanamine

C12H18N2S — CID 83822942

IUPAC2-pyridin-2-yl-2-(thian-4-yl)ethanamine
SMILESNCC(c1ccccn1)C1CCSCC1
InChIInChI=1S/C12H18N2S/c13-9-11(10-4-7-15-8-5-10)12-3-1-2-6-14-12/h1-3,6,10-11H,4-5,7-9,13H2
InChIKeyXPGPLXAGTCRIPQ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.27
Rot. Bonds3

About 2-pyridin-2-yl-2-(thian-4-yl)ethanamine

2-pyridin-2-yl-2-(thian-4-yl)ethanamine (PubChem CID 83822942) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-2-(thian-4-yl)ethanamine
PubChem CID83822942
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-pyridin-2-yl-2-(thian-4-yl)ethanamine
SMILESNCC(c1ccccn1)C1CCSCC1
InChIInChI=1S/C12H18N2S/c13-9-11(10-4-7-15-8-5-10)12-3-1-2-6-14-12/h1-3,6,10-11H,4-5,7-9,13H2
InChIKeyXPGPLXAGTCRIPQ-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylpiperidin-4-yl)-2-pyridin-2-ylethanamine
CID 83975803
2-(1-cyclopropylpropyl)pyridine
CID 154455035
1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
CID 83150029
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953
2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
2-(3-bromophenyl)-2-(thian-4-yl)ethanamine
CID 83975336
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
2-pyridin-2-ylpropan-1-amine
CID 21481533
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
4-amino-1-cyclopentyl-3-pyridin-2-ylbutan-2-ol
CID 80527107
N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132576
2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine
CID 83822698

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-(thian-4-yl)ethanamine?
The IUPAC name of 2-pyridin-2-yl-2-(thian-4-yl)ethanamine (CID 83822942) is 2-pyridin-2-yl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 2-pyridin-2-yl-2-(thian-4-yl)ethanamine is NCC(c1ccccn1)C1CCSCC1.
What is the InChIKey of 2-pyridin-2-yl-2-(thian-4-yl)ethanamine?
The InChIKey is XPGPLXAGTCRIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-9-11(10-4-7-15-8-5-10)12-3-1-2-6-14-12/h1-3,6,10-11H,4-5,7-9,13H2.
What are the key properties of 2-pyridin-2-yl-2-(thian-4-yl)ethanamine?
2-pyridin-2-yl-2-(thian-4-yl)ethanamine has a molecular weight of 222.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 83822942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).