2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

C11H16N2OS — CID 2887324

IUPAC2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CCCCCC2
InChIInChI=1S/C11H16N2OS/c12-10(14)9-7-5-3-1-2-4-6-8(7)15-11(9)13/h1-6,13H2,(H2,12,14)
InChIKeyXZCZLVCNYYVFKH-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.09
Rot. Bonds1

About 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (PubChem CID 2887324) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
PubChem CID2887324
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CCCCCC2
InChIInChI=1S/C11H16N2OS/c12-10(14)9-7-5-3-1-2-4-6-8(7)15-11(9)13/h1-6,13H2,(H2,12,14)
InChIKeyXZCZLVCNYYVFKH-UHFFFAOYSA-N
XLogP2.09
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CID 2887324) is 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is NC(=O)c1c(N)sc2c1CCCCCC2.
What is the InChIKey of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The InChIKey is XZCZLVCNYYVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-10(14)9-7-5-3-1-2-4-6-8(7)15-11(9)13/h1-6,13H2,(H2,12,14).
What are the key properties of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2887324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).