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

C13H16N2OS2 — CID 109396328

IUPAC3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol
SMILESOC1(CNCc2cnc3ccsc3c2)CCSC1
InChIInChI=1S/C13H16N2OS2/c16-13(2-4-17-9-13)8-14-6-10-5-12-11(15-7-10)1-3-18-12/h1,3,5,7,14,16H,2,4,6,8-9H2
InChIKeyAMXKFKMYDHSUMN-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.25
Rot. Bonds4

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

3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol (PubChem CID 109396328) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol
PubChem CID109396328
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol
SMILESOC1(CNCc2cnc3ccsc3c2)CCSC1
InChIInChI=1S/C13H16N2OS2/c16-13(2-4-17-9-13)8-14-6-10-5-12-11(15-7-10)1-3-18-12/h1,3,5,7,14,16H,2,4,6,8-9H2
InChIKeyAMXKFKMYDHSUMN-UHFFFAOYSA-N
XLogP2.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
CID 109396051
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682
3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
CID 111629685
1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine
CID 166329424
3-[[[4-(benzimidazol-1-yl)phenyl]methylamino]methyl]thiolan-3-ol
CID 111629711
(3S)-3-[[(3-chloro-4-methylphenyl)methylamino]methyl]thiolan-3-ol
CID 99844326
3-[[(3-methoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 111629704
3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine
CID 115765551
(2R)-2-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-1-ol
CID 103848216
3-[[(2-bromo-4-methylphenyl)methylamino]methyl]thiolan-3-ol
CID 84590124
3-[[(3-chloro-4-prop-2-enoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 111629750

Frequently Asked Questions

What is the IUPAC name of 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol?
The IUPAC name of 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol (CID 109396328) is 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol is OC1(CNCc2cnc3ccsc3c2)CCSC1.
What is the InChIKey of 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol?
The InChIKey is AMXKFKMYDHSUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c16-13(2-4-17-9-13)8-14-6-10-5-12-11(15-7-10)1-3-18-12/h1,3,5,7,14,16H,2,4,6,8-9H2.
What are the key properties of 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol?
3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol has a molecular weight of 280.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]thiolan-3-ol is sourced from PubChem (CID 109396328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).