(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C15H17NOS — CID 129391976

IUPAC(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cccc(C[C@@H]2NCCc3ccsc32)c1
InChIInChI=1S/C15H17NOS/c1-17-13-4-2-3-11(9-13)10-14-15-12(5-7-16-14)6-8-18-15/h2-4,6,8-9,14,16H,5,7,10H2,1H3/t14-/m0/s1
InChIKeyDRUUOPNLIVITTF-AWEZNQCLSA-N
MW259.37 g/mol
LogP3.19
Rot. Bonds3

About (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 129391976) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID129391976
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cccc(C[C@@H]2NCCc3ccsc32)c1
InChIInChI=1S/C15H17NOS/c1-17-13-4-2-3-11(9-13)10-14-15-12(5-7-16-14)6-8-18-15/h2-4,6,8-9,14,16H,5,7,10H2,1H3/t14-/m0/s1
InChIKeyDRUUOPNLIVITTF-AWEZNQCLSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391723
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 123330032
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
CID 116817312
N,N-dimethyl-1-[(7S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]methanamine
CID 124604286
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
methyl (7R)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 124584496
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)acetic acid
CID 82398858
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 129391976) is (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is COc1cccc(C[C@@H]2NCCc3ccsc32)c1.
What is the InChIKey of (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is DRUUOPNLIVITTF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NOS/c1-17-13-4-2-3-11(9-13)10-14-15-12(5-7-16-14)6-8-18-15/h2-4,6,8-9,14,16H,5,7,10H2,1H3/t14-/m0/s1.
What are the key properties of (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 259.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 129391976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).