N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine

C13H25NOS — CID 115641989

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine
SMILESCCOC1CC(NC2CCSCC2)C1(C)C
InChIInChI=1S/C13H25NOS/c1-4-15-12-9-11(13(12,2)3)14-10-5-7-16-8-6-10/h10-12,14H,4-9H2,1-3H3
InChIKeyWKZLVPAFLDKWQN-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine (PubChem CID 115641989) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine
PubChem CID115641989
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine
SMILESCCOC1CC(NC2CCSCC2)C1(C)C
InChIInChI=1S/C13H25NOS/c1-4-15-12-9-11(13(12,2)3)14-10-5-7-16-8-6-10/h10-12,14H,4-9H2,1-3H3
InChIKeyWKZLVPAFLDKWQN-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 64850719
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine
CID 64851352
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
CID 79861665
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine
CID 115906102
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one
CID 64852724
N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103921996
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 64851744
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
CID 107239129
3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82719565
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine (CID 115641989) is N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine is CCOC1CC(NC2CCSCC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine?
The InChIKey is WKZLVPAFLDKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-4-15-12-9-11(13(12,2)3)14-10-5-7-16-8-6-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine has a molecular weight of 243.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine is sourced from PubChem (CID 115641989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).