2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol

C11H18N2O2S — CID 115627139

IUPAC2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol
SMILESCCS(=O)CCNCc1nc(C)ccc1O
InChIInChI=1S/C11H18N2O2S/c1-3-16(15)7-6-12-8-10-11(14)5-4-9(2)13-10/h4-5,12,14H,3,6-8H2,1-2H3
InChIKeyMCGZCOVLTRVKOG-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.95
Rot. Bonds6

About 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol

2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol (PubChem CID 115627139) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol
PubChem CID115627139
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol
SMILESCCS(=O)CCNCc1nc(C)ccc1O
InChIInChI=1S/C11H18N2O2S/c1-3-16(15)7-6-12-8-10-11(14)5-4-9(2)13-10/h4-5,12,14H,3,6-8H2,1-2H3
InChIKeyMCGZCOVLTRVKOG-UHFFFAOYSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378704
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 113231668
N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115611200
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294
2-ethylsulfinyl-N-[(4-methylphenyl)methyl]ethanamine
CID 115627091
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol (CID 115627139) is 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol is CCS(=O)CCNCc1nc(C)ccc1O.
What is the InChIKey of 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol?
The InChIKey is MCGZCOVLTRVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-16(15)7-6-12-8-10-11(14)5-4-9(2)13-10/h4-5,12,14H,3,6-8H2,1-2H3.
What are the key properties of 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol?
2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol has a molecular weight of 242.34 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 115627139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).