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

C11H16N2OS — CID 111629685

IUPAC3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
SMILESOC1(CNCc2ccccn2)CCSC1
InChIInChI=1S/C11H16N2OS/c14-11(4-6-15-9-11)8-12-7-10-3-1-2-5-13-10/h1-3,5,12,14H,4,6-9H2
InChIKeyNCBYGADYOAGHKS-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.04
Rot. Bonds4

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

3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol (PubChem CID 111629685) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
PubChem CID111629685
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
SMILESOC1(CNCc2ccccn2)CCSC1
InChIInChI=1S/C11H16N2OS/c14-11(4-6-15-9-11)8-12-7-10-3-1-2-5-13-10/h1-3,5,12,14H,4,6-9H2
InChIKeyNCBYGADYOAGHKS-UHFFFAOYSA-N
XLogP1.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(pyridin-2-ylmethylamino)methyl]piperidin-4-ol
CID 82286679
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
[1-[(pyridin-2-ylmethylamino)methyl]cyclopentyl]methanol
CID 115358745
3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629595
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141
3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
CID 126769914
3-[[(2,3-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629539
3-[[[4-(benzimidazol-1-yl)phenyl]methylamino]methyl]thiolan-3-ol
CID 111629711
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
CID 115625870
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
4,4-dimethyl-3-(pyridin-2-ylmethyl)thian-3-ol
CID 79955450
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682

Frequently Asked Questions

What is the IUPAC name of 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol?
The IUPAC name of 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol (CID 111629685) is 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol is OC1(CNCc2ccccn2)CCSC1.
What is the InChIKey of 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol?
The InChIKey is NCBYGADYOAGHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(4-6-15-9-11)8-12-7-10-3-1-2-5-13-10/h1-3,5,12,14H,4,6-9H2.
What are the key properties of 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol?
3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol has a molecular weight of 224.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol is sourced from PubChem (CID 111629685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).