(2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol

C9H15NO2S — CID 103773591

IUPAC(2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol
SMILESCOc1ccc(CN[C@H](C)CO)s1
InChIInChI=1S/C9H15NO2S/c1-7(6-11)10-5-8-3-4-9(12-2)13-8/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyVDICXYUEYLFQJE-SSDOTTSWSA-N
MW201.29 g/mol
LogP1.23
Rot. Bonds5

About (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol

(2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol (PubChem CID 103773591) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol
PubChem CID103773591
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol
SMILESCOc1ccc(CN[C@H](C)CO)s1
InChIInChI=1S/C9H15NO2S/c1-7(6-11)10-5-8-3-4-9(12-2)13-8/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyVDICXYUEYLFQJE-SSDOTTSWSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol (CID 103773591) is (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol is COc1ccc(CN[C@H](C)CO)s1.
What is the InChIKey of (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol?
The InChIKey is VDICXYUEYLFQJE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7(6-11)10-5-8-3-4-9(12-2)13-8/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol?
(2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methoxythiophen-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103773591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).