(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol

C16H17NO3S — CID 166998253

IUPAC(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
SMILESCNCC[C@@](O)(Oc1cccc2ccoc12)c1ccsc1
InChIInChI=1S/C16H17NO3S/c1-17-8-7-16(18,13-6-10-21-11-13)20-14-4-2-3-12-5-9-19-15(12)14/h2-6,9-11,17-18H,7-8H2,1H3/t16-/m1/s1
InChIKeyGNDSKMIAFQVMIY-MRXNPFEDSA-N
MW303.38 g/mol
LogP3.33
Rot. Bonds6

About (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol

(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol (PubChem CID 166998253) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
PubChem CID166998253
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
SMILESCNCC[C@@](O)(Oc1cccc2ccoc12)c1ccsc1
InChIInChI=1S/C16H17NO3S/c1-17-8-7-16(18,13-6-10-21-11-13)20-14-4-2-3-12-5-9-19-15(12)14/h2-6,9-11,17-18H,7-8H2,1H3/t16-/m1/s1
InChIKeyGNDSKMIAFQVMIY-MRXNPFEDSA-N
XLogP3.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 166998249
(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380552
3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380553
3-amino-1-(1-benzofuran-7-yloxy)-1-thiophen-2-ylpropan-1-ol
CID 166998345
(4S)-4-(1-benzofuran-7-yloxy)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 166711998
(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine;sulfane
CID 165059195
1-isoquinolin-5-yloxy-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 166998235
1-(1-benzofuran-7-yloxy)-N-methyl-1-(1,3-oxazol-5-yl)propan-1-amine
CID 170305279
1-benzofuran-7-yloxyboronic acid
CID 171573912
bis(methylamino)-thiophen-3-ylmethanol
CID 126493654
1-benzofuran-7-yl 2-iodo-2-methylbutanoate
CID 129168422
3-[[3-hydroxy-3,3-di(thiophen-3-yl)propyl]amino]-1,1-di(thiophen-3-yl)propan-1-ol
CID 110182532

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol (CID 166998253) is (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol is CNCC[C@@](O)(Oc1cccc2ccoc12)c1ccsc1.
What is the InChIKey of (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is GNDSKMIAFQVMIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-17-8-7-16(18,13-6-10-21-11-13)20-14-4-2-3-12-5-9-19-15(12)14/h2-6,9-11,17-18H,7-8H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 303.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 166998253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).