2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine

C12H19NOS — CID 66351892

IUPAC2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine
SMILESCCC1(C)CC(Nc2ccsc2)CCO1
InChIInChI=1S/C12H19NOS/c1-3-12(2)8-10(4-6-14-12)13-11-5-7-15-9-11/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyOHQIVCNTDOUWNN-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.51
Rot. Bonds3

About 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine

2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine (PubChem CID 66351892) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine
PubChem CID66351892
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine
SMILESCCC1(C)CC(Nc2ccsc2)CCO1
InChIInChI=1S/C12H19NOS/c1-3-12(2)8-10(4-6-14-12)13-11-5-7-15-9-11/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyOHQIVCNTDOUWNN-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine (CID 66351892) is 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine is CCC1(C)CC(Nc2ccsc2)CCO1.
What is the InChIKey of 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine?
The InChIKey is OHQIVCNTDOUWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-12(2)8-10(4-6-14-12)13-11-5-7-15-9-11/h5,7,9-10,13H,3-4,6,8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine?
2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine has a molecular weight of 225.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine is sourced from PubChem (CID 66351892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).