N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C15H22N2O2S — CID 2315047

IUPACN-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H22N2O2S/c18-15(14-11-12-3-1-4-13(12)20-14)16-5-2-6-17-7-9-19-10-8-17/h11H,1-10H2,(H,16,18)
InChIKeyUNHPYCJUGSFQDT-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.69
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 2315047) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID2315047
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H22N2O2S/c18-15(14-11-12-3-1-4-13(12)20-14)16-5-2-6-17-7-9-19-10-8-17/h11H,1-10H2,(H,16,18)
InChIKeyUNHPYCJUGSFQDT-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
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-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 2315047) is N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2c(s1)CCC2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is UNHPYCJUGSFQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-15(14-11-12-3-1-4-13(12)20-14)16-5-2-6-17-7-9-19-10-8-17/h11H,1-10H2,(H,16,18).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 2315047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).