N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide

C12H14N2OS2 — CID 80745911

IUPACN-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCCNC1CC1)c1cc2sccc2s1
InChIInChI=1S/C12H14N2OS2/c15-12(14-5-4-13-8-1-2-8)11-7-10-9(17-11)3-6-16-10/h3,6-8,13H,1-2,4-5H2,(H,14,15)
InChIKeyJEJZLKBFRZOBEX-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide

N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745911) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745911
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC NameN-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCCNC1CC1)c1cc2sccc2s1
InChIInChI=1S/C12H14N2OS2/c15-12(14-5-4-13-8-1-2-8)11-7-10-9(17-11)3-6-16-10/h3,6-8,13H,1-2,4-5H2,(H,14,15)
InChIKeyJEJZLKBFRZOBEX-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide (CID 80745911) is N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(NCCNC1CC1)c1cc2sccc2s1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is JEJZLKBFRZOBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c15-12(14-5-4-13-8-1-2-8)11-7-10-9(17-11)3-6-16-10/h3,6-8,13H,1-2,4-5H2,(H,14,15).
What are the key properties of N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).