1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine

C20H23N3OS — CID 46986544

IUPAC1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine
SMILESc1ccc(-n2cccc2CN(Cc2ccsc2)CC2CCCO2)nc1
InChIInChI=1S/C20H23N3OS/c1-2-9-21-20(7-1)23-10-3-5-18(23)14-22(13-17-8-12-25-16-17)15-19-6-4-11-24-19/h1-3,5,7-10,12,16,19H,4,6,11,13-15H2
InChIKeyZDSFZWXQBJGCGU-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.11
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine

1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46986544) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46986544
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine
SMILESc1ccc(-n2cccc2CN(Cc2ccsc2)CC2CCCO2)nc1
InChIInChI=1S/C20H23N3OS/c1-2-9-21-20(7-1)23-10-3-5-18(23)14-22(13-17-8-12-25-16-17)15-19-6-4-11-24-19/h1-3,5,7-10,12,16,19H,4,6,11,13-15H2
InChIKeyZDSFZWXQBJGCGU-UHFFFAOYSA-N
XLogP4.11
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine with MolForge

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Related Compounds

2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93166076
(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93147229
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 124749223
1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
CID 42212073
methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate
CID 46997202
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
CID 56722271
5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93193958
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135099921
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine (CID 46986544) is 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine is c1ccc(-n2cccc2CN(Cc2ccsc2)CC2CCCO2)nc1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is ZDSFZWXQBJGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-9-21-20(7-1)23-10-3-5-18(23)14-22(13-17-8-12-25-16-17)15-19-6-4-11-24-19/h1-3,5,7-10,12,16,19H,4,6,11,13-15H2.
What are the key properties of 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 353.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46986544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).