N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide

C15H24N2OS — CID 18161752

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide
SMILESCN(C)C(CNC(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C15H24N2OS/c1-17(2)13(14-9-6-10-19-14)11-16-15(18)12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,16,18)
InChIKeyDGROKIHOBHPSGE-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide (PubChem CID 18161752) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide
PubChem CID18161752
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide
SMILESCN(C)C(CNC(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C15H24N2OS/c1-17(2)13(14-9-6-10-19-14)11-16-15(18)12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,16,18)
InChIKeyDGROKIHOBHPSGE-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide 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 N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide (CID 18161752) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide is CN(C)C(CNC(=O)C1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
The InChIKey is DGROKIHOBHPSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-17(2)13(14-9-6-10-19-14)11-16-15(18)12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18161752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).