5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H22N2OS — CID 55009354

IUPAC5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOC1CNC(CN2CCc3sccc3C2C)C1
InChIInChI=1S/C14H22N2OS/c1-10-13-4-6-18-14(13)3-5-16(10)9-11-7-12(17-2)8-15-11/h4,6,10-12,15H,3,5,7-9H2,1-2H3
InChIKeyLMXYSKDDOQGZMI-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.04
Rot. Bonds3

About 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 55009354) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID55009354
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOC1CNC(CN2CCc3sccc3C2C)C1
InChIInChI=1S/C14H22N2OS/c1-10-13-4-6-18-14(13)3-5-16(10)9-11-7-12(17-2)8-15-11/h4,6,10-12,15H,3,5,7-9H2,1-2H3
InChIKeyLMXYSKDDOQGZMI-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929810
1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9321548
3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 64735839
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butan-1-amine
CID 55056659
4-methyl-5-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 106902106
4-ethyl-N-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 62611015
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-2-ol
CID 114495544
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-2-amine
CID 55008664
methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
CID 54939954
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 51500187
2-ethoxy-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 63068667

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 55009354) is 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is COC1CNC(CN2CCc3sccc3C2C)C1.
What is the InChIKey of 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is LMXYSKDDOQGZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-13-4-6-18-14(13)3-5-16(10)9-11-7-12(17-2)8-15-11/h4,6,10-12,15H,3,5,7-9H2,1-2H3.
What are the key properties of 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 266.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxypyrrolidin-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 55009354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).