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

C12H18N2OS — CID 107295445

IUPAC6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCC2CCSC2)n1
InChIInChI=1S/C12H18N2OS/c1-9-2-3-12(15)11(14-9)7-13-6-10-4-5-16-8-10/h2-3,10,13,15H,4-8H2,1H3
InChIKeyNMBJZUMPJBROGP-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.94
Rot. Bonds4

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

6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol (PubChem CID 107295445) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
PubChem CID107295445
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCC2CCSC2)n1
InChIInChI=1S/C12H18N2OS/c1-9-2-3-12(15)11(14-9)7-13-6-10-4-5-16-8-10/h2-3,10,13,15H,4-8H2,1H3
InChIKeyNMBJZUMPJBROGP-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol
CID 103701607
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943361
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943319
N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107132075
6-methyl-2-[[[(3R)-oxan-3-yl]methylamino]methyl]pyridin-3-ol
CID 129379259
2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
CID 95273059
2-chloro-4-[(thiolan-3-ylmethylamino)methyl]phenol
CID 107295304
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
4-[(thiolan-3-ylmethylamino)methyl]benzene-1,3-diol
CID 107295244
N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115611200
1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107166073

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol (CID 107295445) is 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNCC2CCSC2)n1.
What is the InChIKey of 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol?
The InChIKey is NMBJZUMPJBROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-2-3-12(15)11(14-9)7-13-6-10-4-5-16-8-10/h2-3,10,13,15H,4-8H2,1H3.
What are the key properties of 6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol?
6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol has a molecular weight of 238.36 g/mol, XLogP of 1.94, 4 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-ylmethylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 107295445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).