2-(1-benzothiophen-3-yl)oxolan-3-amine

C12H13NOS — CID 79364675

IUPAC2-(1-benzothiophen-3-yl)oxolan-3-amine
SMILESNC1CCOC1c1csc2ccccc12
InChIInChI=1S/C12H13NOS/c13-10-5-6-14-12(10)9-7-15-11-4-2-1-3-8(9)11/h1-4,7,10,12H,5-6,13H2
InChIKeyBFMLDQYVBDNKHX-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.69
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)oxolan-3-amine

2-(1-benzothiophen-3-yl)oxolan-3-amine (PubChem CID 79364675) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)oxolan-3-amine
PubChem CID79364675
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(1-benzothiophen-3-yl)oxolan-3-amine
SMILESNC1CCOC1c1csc2ccccc12
InChIInChI=1S/C12H13NOS/c13-10-5-6-14-12(10)9-7-15-11-4-2-1-3-8(9)11/h1-4,7,10,12H,5-6,13H2
InChIKeyBFMLDQYVBDNKHX-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)oxolan-3-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)oxolan-3-amine (CID 79364675) is 2-(1-benzothiophen-3-yl)oxolan-3-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)oxolan-3-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)oxolan-3-amine is NC1CCOC1c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)oxolan-3-amine?
The InChIKey is BFMLDQYVBDNKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c13-10-5-6-14-12(10)9-7-15-11-4-2-1-3-8(9)11/h1-4,7,10,12H,5-6,13H2.
What are the key properties of 2-(1-benzothiophen-3-yl)oxolan-3-amine?
2-(1-benzothiophen-3-yl)oxolan-3-amine has a molecular weight of 219.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)oxolan-3-amine is sourced from PubChem (CID 79364675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).