2,2-dimethyl-N-thiophen-3-yloxan-4-amine

C11H17NOS — CID 66351428

IUPAC2,2-dimethyl-N-thiophen-3-yloxan-4-amine
SMILESCC1(C)CC(Nc2ccsc2)CCO1
InChIInChI=1S/C11H17NOS/c1-11(2)7-9(3-5-13-11)12-10-4-6-14-8-10/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyARQHVOUPIMQAGP-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.12
Rot. Bonds2

About 2,2-dimethyl-N-thiophen-3-yloxan-4-amine

2,2-dimethyl-N-thiophen-3-yloxan-4-amine (PubChem CID 66351428) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-thiophen-3-yloxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-thiophen-3-yloxan-4-amine
PubChem CID66351428
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2,2-dimethyl-N-thiophen-3-yloxan-4-amine
SMILESCC1(C)CC(Nc2ccsc2)CCO1
InChIInChI=1S/C11H17NOS/c1-11(2)7-9(3-5-13-11)12-10-4-6-14-8-10/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyARQHVOUPIMQAGP-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-thiophen-3-yloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-thiophen-3-yloxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-thiophen-3-yloxan-4-amine (CID 66351428) is 2,2-dimethyl-N-thiophen-3-yloxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-thiophen-3-yloxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-thiophen-3-yloxan-4-amine is CC1(C)CC(Nc2ccsc2)CCO1.
What is the InChIKey of 2,2-dimethyl-N-thiophen-3-yloxan-4-amine?
The InChIKey is ARQHVOUPIMQAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2)7-9(3-5-13-11)12-10-4-6-14-8-10/h4,6,8-9,12H,3,5,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-thiophen-3-yloxan-4-amine?
2,2-dimethyl-N-thiophen-3-yloxan-4-amine has a molecular weight of 211.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-thiophen-3-yloxan-4-amine is sourced from PubChem (CID 66351428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).