2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol

C15H21NO3S — CID 47000015

IUPAC2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccsc1)Cc1ccc(CO)o1
InChIInChI=1S/C15H21NO3S/c1-2-13(9-17)16(7-12-5-6-20-11-12)8-14-3-4-15(10-18)19-14/h3-6,11,13,17-18H,2,7-10H2,1H3
InChIKeyDZRSCJSDLFICRG-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.61
Rot. Bonds8

About 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol

2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol (PubChem CID 47000015) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
PubChem CID47000015
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccsc1)Cc1ccc(CO)o1
InChIInChI=1S/C15H21NO3S/c1-2-13(9-17)16(7-12-5-6-20-11-12)8-14-3-4-15(10-18)19-14/h3-6,11,13,17-18H,2,7-10H2,1H3
InChIKeyDZRSCJSDLFICRG-UHFFFAOYSA-N
XLogP2.61
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol with MolForge

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Related Compounds

N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
CID 46993383
2-[1,3-benzodioxol-4-ylmethyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 46991741
2-[[1-hydroxybutan-2-yl(thiophen-3-ylmethyl)amino]methyl]-6-methylphenol
CID 46986928
(2S)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
CID 95207675
[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46992645
N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
CID 50973233
2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880076
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007292
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
CID 50983418
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
N-[[5-[[[(2S)-1-hydroxybutan-2-yl]-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 95046153

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol (CID 47000015) is 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol is CCC(CO)N(Cc1ccsc1)Cc1ccc(CO)o1.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
The InChIKey is DZRSCJSDLFICRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-13(9-17)16(7-12-5-6-20-11-12)8-14-3-4-15(10-18)19-14/h3-6,11,13,17-18H,2,7-10H2,1H3.
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 47000015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).