3-ethyl-2H-thiophen-3-amine

C6H11NS — CID 154557002

IUPAC3-ethyl-2H-thiophen-3-amine
SMILESCCC1(N)C=CSC1
InChIInChI=1S/C6H11NS/c1-2-6(7)3-4-8-5-6/h3-4H,2,5,7H2,1H3
InChIKeyXATPKLJTPITYOG-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.35
Rot. Bonds1

About 3-ethyl-2H-thiophen-3-amine

3-ethyl-2H-thiophen-3-amine (PubChem CID 154557002) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3-ethyl-2H-thiophen-3-amine.

Molecular Properties

Compound Name3-ethyl-2H-thiophen-3-amine
PubChem CID154557002
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3-ethyl-2H-thiophen-3-amine
SMILESCCC1(N)C=CSC1
InChIInChI=1S/C6H11NS/c1-2-6(7)3-4-8-5-6/h3-4H,2,5,7H2,1H3
InChIKeyXATPKLJTPITYOG-UHFFFAOYSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-thiophen-3-amine?
The IUPAC name of 3-ethyl-2H-thiophen-3-amine (CID 154557002) is 3-ethyl-2H-thiophen-3-amine.
What is the SMILES notation for 3-ethyl-2H-thiophen-3-amine?
The canonical SMILES for 3-ethyl-2H-thiophen-3-amine is CCC1(N)C=CSC1.
What is the InChIKey of 3-ethyl-2H-thiophen-3-amine?
The InChIKey is XATPKLJTPITYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-6(7)3-4-8-5-6/h3-4H,2,5,7H2,1H3.
What are the key properties of 3-ethyl-2H-thiophen-3-amine?
3-ethyl-2H-thiophen-3-amine has a molecular weight of 129.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-thiophen-3-amine is sourced from PubChem (CID 154557002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).