5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol

C24H33NO3S — CID 93193958

IUPAC5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
SMILESC=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccsc2)C[C@H]2CCCO2)o1
InChIInChI=1S/C24H33NO3S/c1-3-5-12-24(26,13-6-4-2)23-10-9-22(28-23)18-25(16-20-11-15-29-19-20)17-21-8-7-14-27-21/h3-4,9-11,15,19,21,26H,1-2,5-8,12-14,16-18H2/t21-/m1/s1
InChIKeyDOQYWYSSOPUGLT-OAQYLSRUSA-N
MW415.60 g/mol
LogP5.64
Rot. Bonds13

About 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol

5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol (PubChem CID 93193958) has the molecular formula C24H33NO3S and a molecular weight of 415.60 g/mol. Its IUPAC name is 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol.

Molecular Properties

Compound Name5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
PubChem CID93193958
Molecular FormulaC24H33NO3S
Molecular Weight415.60 g/mol
Exact Mass415.22
IUPAC Name5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
SMILESC=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccsc2)C[C@H]2CCCO2)o1
InChIInChI=1S/C24H33NO3S/c1-3-5-12-24(26,13-6-4-2)23-10-9-22(28-23)18-25(16-20-11-15-29-19-20)17-21-8-7-14-27-21/h3-4,9-11,15,19,21,26H,1-2,5-8,12-14,16-18H2/t21-/m1/s1
InChIKeyDOQYWYSSOPUGLT-OAQYLSRUSA-N
XLogP5.64
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93182685
2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93166076
4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 93193997
[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
CID 46014037
5-[5-[[(4-methylphenyl)methyl-propylamino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017678
bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 124749223
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 93182689
[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 93176903
(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93147229
[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 46017709
methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate
CID 46997202

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The IUPAC name of 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol (CID 93193958) is 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol.
What is the SMILES notation for 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The canonical SMILES for 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol is C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccsc2)C[C@H]2CCCO2)o1.
What is the InChIKey of 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
The InChIKey is DOQYWYSSOPUGLT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33NO3S/c1-3-5-12-24(26,13-6-4-2)23-10-9-22(28-23)18-25(16-20-11-15-29-19-20)17-21-8-7-14-27-21/h3-4,9-11,15,19,21,26H,1-2,5-8,12-14,16-18H2/t21-/m1/s1.
What are the key properties of 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol?
5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol has a molecular weight of 415.60 g/mol, XLogP of 5.64, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol is sourced from PubChem (CID 93193958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).