2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride

C12H18ClNOS — CID 91980405

IUPAC2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride
SMILESCCNC1(c2cccs2)CCCCC1=O.[Cl-].[H+]
InChIInChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H
InChIKeyZUYKJZQOPXDNOK-UHFFFAOYSA-N
MW259.80 g/mol
LogP-0.19
Rot. Bonds3

About 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride

2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride (PubChem CID 91980405) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride.

Molecular Properties

Compound Name2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride
PubChem CID91980405
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride
SMILESCCNC1(c2cccs2)CCCCC1=O.[Cl-].[H+]
InChIInChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H
InChIKeyZUYKJZQOPXDNOK-UHFFFAOYSA-N
XLogP-0.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride 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-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride?
The IUPAC name of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride (CID 91980405) is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride.
What is the SMILES notation for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride?
The canonical SMILES for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride is CCNC1(c2cccs2)CCCCC1=O.[Cl-].[H+].
What is the InChIKey of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride?
The InChIKey is ZUYKJZQOPXDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H.
What are the key properties of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride?
2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride has a molecular weight of 259.80 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydron;chloride is sourced from PubChem (CID 91980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).