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

C13H14N2O2S — CID 4162965

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide
SMILESN#Cc1c(NC(=O)C2CCCO2)sc2c1CCC2
InChIInChI=1S/C13H14N2O2S/c14-7-9-8-3-1-5-11(8)18-13(9)15-12(16)10-4-2-6-17-10/h10H,1-6H2,(H,15,16)
InChIKeyGLAIDUFYJCPSKN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.23
Rot. Bonds2

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide (PubChem CID 4162965) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide
PubChem CID4162965
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide
SMILESN#Cc1c(NC(=O)C2CCCO2)sc2c1CCC2
InChIInChI=1S/C13H14N2O2S/c14-7-9-8-3-1-5-11(8)18-13(9)15-12(16)10-4-2-6-17-10/h10H,1-6H2,(H,15,16)
InChIKeyGLAIDUFYJCPSKN-UHFFFAOYSA-N
XLogP2.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide (CID 4162965) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide is N#Cc1c(NC(=O)C2CCCO2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide?
The InChIKey is GLAIDUFYJCPSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-7-9-8-3-1-5-11(8)18-13(9)15-12(16)10-4-2-6-17-10/h10H,1-6H2,(H,15,16).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 4162965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).