N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine

C13H16N2OS — CID 81143203

IUPACN-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)C1CCOC1
InChIInChI=1S/C13H16N2OS/c1-14-13(9-2-4-16-8-9)10-6-12-11(15-7-10)3-5-17-12/h3,5-7,9,13-14H,2,4,8H2,1H3
InChIKeyVNLJGWQBSRWCMF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine

N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81143203) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81143203
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)C1CCOC1
InChIInChI=1S/C13H16N2OS/c1-14-13(9-2-4-16-8-9)10-6-12-11(15-7-10)3-5-17-12/h3,5-7,9,13-14H,2,4,8H2,1H3
InChIKeyVNLJGWQBSRWCMF-UHFFFAOYSA-N
XLogP2.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[cyclopropyl(thieno[3,2-b]pyridin-6-yl)methyl]hydrazine
CID 105256331
[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]hydrazine
CID 105256370
N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine
CID 82931928
N-[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]propan-1-amine
CID 81144181
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-thieno[3,2-b]pyridin-6-ylethanol
CID 64830910
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 102647907
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-methyl-1-thieno[3,2-b]pyridin-6-yl-1-thiophen-2-ylmethanamine
CID 81143417
[oxolan-3-yl(quinolin-3-yl)methyl]hydrazine
CID 105229396
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol
CID 81153788

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81143203) is N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine is CNC(c1cnc2ccsc2c1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is VNLJGWQBSRWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-14-13(9-2-4-16-8-9)10-6-12-11(15-7-10)3-5-17-12/h3,5-7,9,13-14H,2,4,8H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81143203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).