6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol

C11H16N2OS — CID 103701607

IUPAC6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCSC2)n1
InChIInChI=1S/C11H16N2OS/c1-8-2-3-11(14)10(13-8)6-12-9-4-5-15-7-9/h2-3,9,12,14H,4-7H2,1H3
InChIKeyLUTBRKRZZBZZSW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.69
Rot. Bonds3

About 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol

6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol (PubChem CID 103701607) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol
PubChem CID103701607
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCSC2)n1
InChIInChI=1S/C11H16N2OS/c1-8-2-3-11(14)10(13-8)6-12-9-4-5-15-7-9/h2-3,9,12,14H,4-7H2,1H3
InChIKeyLUTBRKRZZBZZSW-UHFFFAOYSA-N
XLogP1.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 107295445
2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol
CID 78928626
6-methyl-2-[[(3-methylcyclobutyl)amino]methyl]pyridin-3-ol
CID 115671574
6-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-3-ol
CID 79025943
2-[(2-adamantylamino)methyl]-6-methylpyridin-3-ol
CID 78928439
2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol
CID 78928416
2-[[(4-hydroxyoxolan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 115919696
2-[(1-cyclohexylethylamino)methyl]-6-methylpyridin-3-ol
CID 79032200
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943361
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
(3S)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]azepan-2-one
CID 129379257

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol (CID 103701607) is 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNC2CCSC2)n1.
What is the InChIKey of 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol?
The InChIKey is LUTBRKRZZBZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-2-3-11(14)10(13-8)6-12-9-4-5-15-7-9/h2-3,9,12,14H,4-7H2,1H3.
What are the key properties of 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol?
6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol has a molecular weight of 224.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 103701607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).