2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol

C13H21NOS — CID 112633899

IUPAC2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol
SMILESCc1ccc(C(C)NC2CC(O)C2(C)C)s1
InChIInChI=1S/C13H21NOS/c1-8-5-6-10(16-8)9(2)14-11-7-12(15)13(11,3)4/h5-6,9,11-12,14-15H,7H2,1-4H3
InChIKeyVNACFXURDXBQJW-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.87
Rot. Bonds3

About 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol

2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol (PubChem CID 112633899) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol
PubChem CID112633899
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol
SMILESCc1ccc(C(C)NC2CC(O)C2(C)C)s1
InChIInChI=1S/C13H21NOS/c1-8-5-6-10(16-8)9(2)14-11-7-12(15)13(11,3)4/h5-6,9,11-12,14-15H,7H2,1-4H3
InChIKeyVNACFXURDXBQJW-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-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 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol (CID 112633899) is 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol is Cc1ccc(C(C)NC2CC(O)C2(C)C)s1.
What is the InChIKey of 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol?
The InChIKey is VNACFXURDXBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-8-5-6-10(16-8)9(2)14-11-7-12(15)13(11,3)4/h5-6,9,11-12,14-15H,7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 112633899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).