2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C12H16N2O3S2 — CID 650147

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC2
InChIInChI=1S/C12H16N2O3S2/c13-11-10(8-2-1-3-9(8)18-11)12(15)14-7-4-5-19(16,17)6-7/h7H,1-6,13H2,(H,14,15)
InChIKeyVSYWXZHKEIDEDF-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.74
Rot. Bonds2

About 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 650147) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID650147
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC2
InChIInChI=1S/C12H16N2O3S2/c13-11-10(8-2-1-3-9(8)18-11)12(15)14-7-4-5-19(16,17)6-7/h7H,1-6,13H2,(H,14,15)
InChIKeyVSYWXZHKEIDEDF-UHFFFAOYSA-N
XLogP0.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 650147) is 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC2.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is VSYWXZHKEIDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c13-11-10(8-2-1-3-9(8)18-11)12(15)14-7-4-5-19(16,17)6-7/h7H,1-6,13H2,(H,14,15).
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 650147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).