4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine

C16H20N2OS — CID 97470361

IUPAC4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
SMILESCO[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccncc1
InChIInChI=1S/C16H20N2OS/c1-19-16-6-9-18(12-14-3-2-10-20-14)15(16)11-13-4-7-17-8-5-13/h2-5,7-8,10,15-16H,6,9,11-12H2,1H3/t15-,16+/m0/s1
InChIKeyPWNJBGLCXNCAIQ-JKSUJKDBSA-N
MW288.42 g/mol
LogP2.98
Rot. Bonds5

About 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine

4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine (PubChem CID 97470361) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
PubChem CID97470361
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
SMILESCO[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccncc1
InChIInChI=1S/C16H20N2OS/c1-19-16-6-9-18(12-14-3-2-10-20-14)15(16)11-13-4-7-17-8-5-13/h2-5,7-8,10,15-16H,6,9,11-12H2,1H3/t15-,16+/m0/s1
InChIKeyPWNJBGLCXNCAIQ-JKSUJKDBSA-N
XLogP2.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S,3S)-3-(2-methoxyethoxy)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97384259
(4R,4aR,7aR)-4-methoxy-6-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 124788487
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97384327
4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124789164
(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 97408592
3-[[(2R,3R)-3-methoxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridine
CID 124817739
(3aR,5S,7aR)-5-(methoxymethyl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124790695
4-[[(2S,3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 97470831
3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97391882
[(2R,3R)-3-methoxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124790437
(3aS,6aR)-4-pyrimidin-2-yl-1-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98821197
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
CID 124792317

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine (CID 97470361) is 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine is CO[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccncc1.
What is the InChIKey of 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine?
The InChIKey is PWNJBGLCXNCAIQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-16-6-9-18(12-14-3-2-10-20-14)15(16)11-13-4-7-17-8-5-13/h2-5,7-8,10,15-16H,6,9,11-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine?
4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine has a molecular weight of 288.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 97470361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).