4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol

C12H19NOS — CID 138514846

IUPAC4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)C1(c2cccs2)CCC(O)CC1
InChIInChI=1S/C12H19NOS/c1-13(2)12(11-4-3-9-15-11)7-5-10(14)6-8-12/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyNTKZNRFOQVXQIM-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.44
Rot. Bonds2

About 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol

4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol (PubChem CID 138514846) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
PubChem CID138514846
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)C1(c2cccs2)CCC(O)CC1
InChIInChI=1S/C12H19NOS/c1-13(2)12(11-4-3-9-15-11)7-5-10(14)6-8-12/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyNTKZNRFOQVXQIM-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol 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 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol (CID 138514846) is 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol is CN(C)C1(c2cccs2)CCC(O)CC1.
What is the InChIKey of 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is NTKZNRFOQVXQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-13(2)12(11-4-3-9-15-11)7-5-10(14)6-8-12/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol?
4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 138514846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).