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

C13H14N2OS2 — CID 80744969

IUPACN-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C13H14N2OS2/c1-3-13(4-2,8-14)15-12(16)11-7-10-9(18-11)5-6-17-10/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyWZCSBIZTHUQRSJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.77
Rot. Bonds4

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

N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80744969) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80744969
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C13H14N2OS2/c1-3-13(4-2,8-14)15-12(16)11-7-10-9(18-11)5-6-17-10/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyWZCSBIZTHUQRSJ-UHFFFAOYSA-N
XLogP3.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-3-methylpentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 114153197
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide
CID 80644116
2-ethyl-2-[(thieno[3,2-b]thiophene-5-carbonylamino)methyl]butanoic acid
CID 115429647
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744691
N-(2-chloro-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168700
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide (CID 80744969) is N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide is CCC(C#N)(CC)NC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is WZCSBIZTHUQRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-3-13(4-2,8-14)15-12(16)11-7-10-9(18-11)5-6-17-10/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80744969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).