2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide

C12H17N3OS — CID 118318307

IUPAC2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CC1CCCCN1C2
InChIInChI=1S/C12H17N3OS/c13-11(16)10-8-5-7-3-1-2-4-15(7)6-9(8)17-12(10)14/h7H,1-6,14H2,(H2,13,16)
InChIKeySXWGPVCQUVNAFN-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.34
Rot. Bonds1

About 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide

2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide (PubChem CID 118318307) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide.

Molecular Properties

Compound Name2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide
PubChem CID118318307
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CC1CCCCN1C2
InChIInChI=1S/C12H17N3OS/c13-11(16)10-8-5-7-3-1-2-4-15(7)6-9(8)17-12(10)14/h7H,1-6,14H2,(H2,13,16)
InChIKeySXWGPVCQUVNAFN-UHFFFAOYSA-N
XLogP1.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide?
The IUPAC name of 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide (CID 118318307) is 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide.
What is the SMILES notation for 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide?
The canonical SMILES for 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide is NC(=O)c1c(N)sc2c1CC1CCCCN1C2.
What is the InChIKey of 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide?
The InChIKey is SXWGPVCQUVNAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-11(16)10-8-5-7-3-1-2-4-15(7)6-9(8)17-12(10)14/h7H,1-6,14H2,(H2,13,16).
What are the key properties of 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide?
2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4a,5,6,7,8,10-hexahydro-4H-thieno[3,2-b]quinolizine-3-carboxamide is sourced from PubChem (CID 118318307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).