2-thiophen-2-yloxan-3-amine

C9H13NOS — CID 79365694

IUPAC2-thiophen-2-yloxan-3-amine
SMILESNC1CCCOC1c1cccs1
InChIInChI=1S/C9H13NOS/c10-7-3-1-5-11-9(7)8-4-2-6-12-8/h2,4,6-7,9H,1,3,5,10H2
InChIKeyXXGJQRRVJMSCNM-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.93
Rot. Bonds1

About 2-thiophen-2-yloxan-3-amine

2-thiophen-2-yloxan-3-amine (PubChem CID 79365694) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-thiophen-2-yloxan-3-amine.

Molecular Properties

Compound Name2-thiophen-2-yloxan-3-amine
PubChem CID79365694
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-thiophen-2-yloxan-3-amine
SMILESNC1CCCOC1c1cccs1
InChIInChI=1S/C9H13NOS/c10-7-3-1-5-11-9(7)8-4-2-6-12-8/h2,4,6-7,9H,1,3,5,10H2
InChIKeyXXGJQRRVJMSCNM-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yloxan-3-amine?
The IUPAC name of 2-thiophen-2-yloxan-3-amine (CID 79365694) is 2-thiophen-2-yloxan-3-amine.
What is the SMILES notation for 2-thiophen-2-yloxan-3-amine?
The canonical SMILES for 2-thiophen-2-yloxan-3-amine is NC1CCCOC1c1cccs1.
What is the InChIKey of 2-thiophen-2-yloxan-3-amine?
The InChIKey is XXGJQRRVJMSCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-7-3-1-5-11-9(7)8-4-2-6-12-8/h2,4,6-7,9H,1,3,5,10H2.
What are the key properties of 2-thiophen-2-yloxan-3-amine?
2-thiophen-2-yloxan-3-amine has a molecular weight of 183.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yloxan-3-amine is sourced from PubChem (CID 79365694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).