4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine

C19H25N3OS — CID 97470928

IUPAC4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cncc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2cccs2)c1
InChIInChI=1S/C19H25N3OS/c1-3-16(14-20-6-1)13-19-18(21-8-10-23-11-9-21)5-7-22(19)15-17-4-2-12-24-17/h1-4,6,12,14,18-19H,5,7-11,13,15H2/t18-,19+/m1/s1
InChIKeyMBEXSIHYXLAXQP-MOPGFXCFSA-N
MW343.50 g/mol
LogP2.66
Rot. Bonds5

About 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine

4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine (PubChem CID 97470928) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine
PubChem CID97470928
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cncc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2cccs2)c1
InChIInChI=1S/C19H25N3OS/c1-3-16(14-20-6-1)13-19-18(21-8-10-23-11-9-21)5-7-22(19)15-17-4-2-12-24-17/h1-4,6,12,14,18-19H,5,7-11,13,15H2/t18-,19+/m1/s1
InChIKeyMBEXSIHYXLAXQP-MOPGFXCFSA-N
XLogP2.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine with MolForge

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Related Compounds

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CID 5329364
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N-(2-morpholino-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
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2-Pyridin-2-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
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Morpholin-4-yl-(2-pyridin-2-ylthiolan-2-yl)methanethione
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CID 118911861
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CID 16677198
2-Pyridin-2-yl-6-thiophen-3-ylpyridine
CID 24873971
(2-Methoxyethyl)[(3-methyl-2-thienyl)methyl](pyridin-2-ylmethyl)amine
CID 46996886
N-methyl-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 72126045
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
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CID 72142273

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine (CID 97470928) is 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine is c1cncc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2cccs2)c1.
What is the InChIKey of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine?
The InChIKey is MBEXSIHYXLAXQP-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-16(14-20-6-1)13-19-18(21-8-10-23-11-9-21)5-7-22(19)15-17-4-2-12-24-17/h1-4,6,12,14,18-19H,5,7-11,13,15H2/t18-,19+/m1/s1.
What are the key properties of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine?
4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine has a molecular weight of 343.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 97470928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).