(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone

C16H24N2OS — CID 64775355

IUPAC(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
SMILESCC1CCc2sc(N)c(C(=O)N3CCCCC3)c2C1C
InChIInChI=1S/C16H24N2OS/c1-10-6-7-12-13(11(10)2)14(15(17)20-12)16(19)18-8-4-3-5-9-18/h10-11H,3-9,17H2,1-2H3
InChIKeyUTMXTMGZLCPMTJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.64
Rot. Bonds1

About (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone

(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone (PubChem CID 64775355) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
PubChem CID64775355
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
SMILESCC1CCc2sc(N)c(C(=O)N3CCCCC3)c2C1C
InChIInChI=1S/C16H24N2OS/c1-10-6-7-12-13(11(10)2)14(15(17)20-12)16(19)18-8-4-3-5-9-18/h10-11H,3-9,17H2,1-2H3
InChIKeyUTMXTMGZLCPMTJ-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone 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-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone (CID 64775355) is (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone is CC1CCc2sc(N)c(C(=O)N3CCCCC3)c2C1C.
What is the InChIKey of (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
The InChIKey is UTMXTMGZLCPMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-10-6-7-12-13(11(10)2)14(15(17)20-12)16(19)18-8-4-3-5-9-18/h10-11H,3-9,17H2,1-2H3.
What are the key properties of (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone has a molecular weight of 292.45 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 64775355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).