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

C9H9NO2S2 — CID 30772849

IUPACN-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCCO)c1cc2sccc2s1
InChIInChI=1S/C9H9NO2S2/c11-3-2-10-9(12)8-5-7-6(14-8)1-4-13-7/h1,4-5,11H,2-3H2,(H,10,12)
InChIKeyKKKNRCNSSLPCOI-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.68
Rot. Bonds3

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

N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 30772849) has the molecular formula C9H9NO2S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID30772849
Molecular FormulaC9H9NO2S2
Molecular Weight227.31 g/mol
Exact Mass227.01
IUPAC NameN-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCCO)c1cc2sccc2s1
InChIInChI=1S/C9H9NO2S2/c11-3-2-10-9(12)8-5-7-6(14-8)1-4-13-7/h1,4-5,11H,2-3H2,(H,10,12)
InChIKeyKKKNRCNSSLPCOI-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide (CID 30772849) is N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide is O=C(NCCO)c1cc2sccc2s1.
What is the InChIKey of N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is KKKNRCNSSLPCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S2/c11-3-2-10-9(12)8-5-7-6(14-8)1-4-13-7/h1,4-5,11H,2-3H2,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 30772849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).