1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine

C13H20N2OS — CID 114054414

IUPAC1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine
SMILESCOc1cccnc1C(N)CC1CCSCC1
InChIInChI=1S/C13H20N2OS/c1-16-12-3-2-6-15-13(12)11(14)9-10-4-7-17-8-5-10/h2-3,6,10-11H,4-5,7-9,14H2,1H3
InChIKeyKZKIZMRVKLGPEK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine

1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine (PubChem CID 114054414) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine
PubChem CID114054414
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine
SMILESCOc1cccnc1C(N)CC1CCSCC1
InChIInChI=1S/C13H20N2OS/c1-16-12-3-2-6-15-13(12)11(14)9-10-4-7-17-8-5-10/h2-3,6,10-11H,4-5,7-9,14H2,1H3
InChIKeyKZKIZMRVKLGPEK-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293023
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
1-(4-methoxyphenyl)-2-(thian-4-yl)ethanamine
CID 105095213
1-quinolin-7-yl-2-(thian-4-yl)ethanamine
CID 105172620
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114054015
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032196
1-(4-tert-butylphenyl)-2-(thian-4-yl)ethanamine
CID 105140456
(2S)-2-bromo-2-(3-methoxy-2-pyridinyl)acetaldehyde
CID 146197520

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine (CID 114054414) is 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine is COc1cccnc1C(N)CC1CCSCC1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine?
The InChIKey is KZKIZMRVKLGPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-16-12-3-2-6-15-13(12)11(14)9-10-4-7-17-8-5-10/h2-3,6,10-11H,4-5,7-9,14H2,1H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine?
1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine has a molecular weight of 252.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 114054414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).