2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine

C19H19NOS — CID 134957934

IUPAC2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine
SMILESCO[C@@H](CCc1ccccc1)c1ccsc1-c1ccccn1
InChIInChI=1S/C19H19NOS/c1-21-18(11-10-15-7-3-2-4-8-15)16-12-14-22-19(16)17-9-5-6-13-20-17/h2-9,12-14,18H,10-11H2,1H3/t18-/m0/s1
InChIKeyIRXSTXGPZYVWRD-SFHVURJKSA-N
MW309.43 g/mol
LogP5.13
Rot. Bonds6

About 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine

2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine (PubChem CID 134957934) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine
PubChem CID134957934
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine
SMILESCO[C@@H](CCc1ccccc1)c1ccsc1-c1ccccn1
InChIInChI=1S/C19H19NOS/c1-21-18(11-10-15-7-3-2-4-8-15)16-12-14-22-19(16)17-9-5-6-13-20-17/h2-9,12-14,18H,10-11H2,1H3/t18-/m0/s1
InChIKeyIRXSTXGPZYVWRD-SFHVURJKSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
3-{4-[2-(Phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidin-1-ylmethyl}-pyridine
CID 10810543
1'-[(1-Methylindol-3-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145989302
Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
Isoquinolin-1-yl(thiophen-2-yl)methanol
CID 2999753
1-(Pyridin-3-yl)-2-(thiophen-2-yl)propan-2-ol
CID 238325
2-Methoxy-5-(3-methyl-thiophen-2-yl)-pyridine
CID 11206520
4-[2-[6-[2-(Methoxymethyl)phenyl]pyridin-1-ium-3-yl]ethynyl]-2-methyl-1,3-thiazole
CID 57823013
2-Picoline, alpha-(2-(dimethylamino)ethoxy)-alpha-methyl-alpha-(2-thienyl)-, hydrochloride
CID 3056387
2-(3-Methoxy-1-benzothiophen-2-yl)pyridine
CID 44429807
2-[Benzyl(pyridin-4-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855561

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine (CID 134957934) is 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine is CO[C@@H](CCc1ccccc1)c1ccsc1-c1ccccn1.
What is the InChIKey of 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine?
The InChIKey is IRXSTXGPZYVWRD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19NOS/c1-21-18(11-10-15-7-3-2-4-8-15)16-12-14-22-19(16)17-9-5-6-13-20-17/h2-9,12-14,18H,10-11H2,1H3/t18-/m0/s1.
What are the key properties of 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine?
2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine has a molecular weight of 309.43 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-methoxy-3-phenylpropyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 134957934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).