4-thiophen-2-yloxan-4-amine

C9H13NOS — CID 62503091

IUPAC4-thiophen-2-yloxan-4-amine
SMILESNC1(c2cccs2)CCOCC1
InChIInChI=1S/C9H13NOS/c10-9(3-5-11-6-4-9)8-2-1-7-12-8/h1-2,7H,3-6,10H2
InChIKeyMOHJPQBAASDJGP-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.71
Rot. Bonds1

About 4-thiophen-2-yloxan-4-amine

4-thiophen-2-yloxan-4-amine (PubChem CID 62503091) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-thiophen-2-yloxan-4-amine.

Molecular Properties

Compound Name4-thiophen-2-yloxan-4-amine
PubChem CID62503091
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-thiophen-2-yloxan-4-amine
SMILESNC1(c2cccs2)CCOCC1
InChIInChI=1S/C9H13NOS/c10-9(3-5-11-6-4-9)8-2-1-7-12-8/h1-2,7H,3-6,10H2
InChIKeyMOHJPQBAASDJGP-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yloxan-4-amine?
The IUPAC name of 4-thiophen-2-yloxan-4-amine (CID 62503091) is 4-thiophen-2-yloxan-4-amine.
What is the SMILES notation for 4-thiophen-2-yloxan-4-amine?
The canonical SMILES for 4-thiophen-2-yloxan-4-amine is NC1(c2cccs2)CCOCC1.
What is the InChIKey of 4-thiophen-2-yloxan-4-amine?
The InChIKey is MOHJPQBAASDJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-9(3-5-11-6-4-9)8-2-1-7-12-8/h1-2,7H,3-6,10H2.
What are the key properties of 4-thiophen-2-yloxan-4-amine?
4-thiophen-2-yloxan-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yloxan-4-amine is sourced from PubChem (CID 62503091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).