1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine

C9H14N2OS — CID 107511293

IUPAC1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine
SMILESCOCC(N)CSc1ccccn1
InChIInChI=1S/C9H14N2OS/c1-12-6-8(10)7-13-9-4-2-3-5-11-9/h2-5,8H,6-7,10H2,1H3
InChIKeyVGIVRHPKKHMWRG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.15
Rot. Bonds5

About 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine

1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine (PubChem CID 107511293) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine
PubChem CID107511293
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine
SMILESCOCC(N)CSc1ccccn1
InChIInChI=1S/C9H14N2OS/c1-12-6-8(10)7-13-9-4-2-3-5-11-9/h2-5,8H,6-7,10H2,1H3
InChIKeyVGIVRHPKKHMWRG-UHFFFAOYSA-N
XLogP1.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-pyridinyl)sulfanyl]-3-methoxypropan-2-amine
CID 107511471
(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-pyridin-2-ylsulfanylpropan-2-amine
CID 59849380
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
1-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649690
methyl 2-bromo-3-pyridin-2-ylsulfanylpropanoate
CID 81091172
1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 107511460
1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 107511553
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842276
(2S)-1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108825

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine (CID 107511293) is 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine is COCC(N)CSc1ccccn1.
What is the InChIKey of 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine?
The InChIKey is VGIVRHPKKHMWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-6-8(10)7-13-9-4-2-3-5-11-9/h2-5,8H,6-7,10H2,1H3.
What are the key properties of 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine?
1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 107511293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).