N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C14H20N2O2S2 — CID 3236764

IUPACN-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(s1)CSC2
InChIInChI=1S/C14H20N2O2S2/c17-14(12-8-11-9-19-10-13(11)20-12)15-2-1-3-16-4-6-18-7-5-16/h8H,1-7,9-10H2,(H,15,17)
InChIKeyVYMBTBUYXYNWEA-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.95
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3236764) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3236764
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC NameN-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(s1)CSC2
InChIInChI=1S/C14H20N2O2S2/c17-14(12-8-11-9-19-10-13(11)20-12)15-2-1-3-16-4-6-18-7-5-16/h8H,1-7,9-10H2,(H,15,17)
InChIKeyVYMBTBUYXYNWEA-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3236764) is N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2c(s1)CSC2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is VYMBTBUYXYNWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c17-14(12-8-11-9-19-10-13(11)20-12)15-2-1-3-16-4-6-18-7-5-16/h8H,1-7,9-10H2,(H,15,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3236764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).