N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide

C11H12N2OS — CID 3154707

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
SMILESCCC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C11H12N2OS/c1-2-10(14)13-11-8(6-12)7-4-3-5-9(7)15-11/h2-5H2,1H3,(H,13,14)
InChIKeyTWQQHKZZFQMZMD-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.46
Rot. Bonds2

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide (PubChem CID 3154707) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
PubChem CID3154707
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
SMILESCCC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C11H12N2OS/c1-2-10(14)13-11-8(6-12)7-4-3-5-9(7)15-11/h2-5H2,1H3,(H,13,14)
InChIKeyTWQQHKZZFQMZMD-UHFFFAOYSA-N
XLogP2.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 676715
2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 1992011
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
CID 3160709
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 645308
N-(3-cyano-4,5-dimethyl-2-thienyl)cyclopentanecarboxamide
CID 903195
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylpropanamide
CID 4613462
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 290230
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 694422
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
CID 726183
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 1714004
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-piperidin-1-ylacetamide
CID 705148
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 730298

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide (CID 3154707) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide is CCC(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
The InChIKey is TWQQHKZZFQMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-10(14)13-11-8(6-12)7-4-3-5-9(7)15-11/h2-5H2,1H3,(H,13,14).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide has a molecular weight of 220.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide is sourced from PubChem (CID 3154707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).