(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C19H25NO3S — CID 51500181

IUPAC(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOCCOc1cc(CN2CCc3sccc3[C@@H]2C)ccc1OC
InChIInChI=1S/C19H25NO3S/c1-14-16-7-11-24-19(16)6-8-20(14)13-15-4-5-17(22-3)18(12-15)23-10-9-21-2/h4-5,7,11-12,14H,6,8-10,13H2,1-3H3/t14-/m0/s1
InChIKeyNKICQACTBHUJNY-AWEZNQCLSA-N
MW347.48 g/mol
LogP3.90
Rot. Bonds7

About (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 51500181) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID51500181
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOCCOc1cc(CN2CCc3sccc3[C@@H]2C)ccc1OC
InChIInChI=1S/C19H25NO3S/c1-14-16-7-11-24-19(16)6-8-20(14)13-15-4-5-17(22-3)18(12-15)23-10-9-21-2/h4-5,7,11-12,14H,6,8-10,13H2,1-3H3/t14-/m0/s1
InChIKeyNKICQACTBHUJNY-AWEZNQCLSA-N
XLogP3.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 46967179
(4S)-4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500136
4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 171667594
2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
CID 51500695
(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51593965
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 51500187
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
5-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103998198
4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16676298
5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65326163
1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909204
N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999892

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 51500181) is (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is COCCOc1cc(CN2CCc3sccc3[C@@H]2C)ccc1OC.
What is the InChIKey of (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NKICQACTBHUJNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14-16-7-11-24-19(16)6-8-20(14)13-15-4-5-17(22-3)18(12-15)23-10-9-21-2/h4-5,7,11-12,14H,6,8-10,13H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 347.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 51500181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).