3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol

C14H29NO2S — CID 106159068

IUPAC3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCCOC1CC(NC(C)C(CO)SC)C1(C)CC
InChIInChI=1S/C14H29NO2S/c1-6-14(4)12(8-13(14)17-7-2)15-10(3)11(9-16)18-5/h10-13,15-16H,6-9H2,1-5H3
InChIKeyVWCCFEZNCWYLLA-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.28
Rot. Bonds8

About 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol

3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106159068) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106159068
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCCOC1CC(NC(C)C(CO)SC)C1(C)CC
InChIInChI=1S/C14H29NO2S/c1-6-14(4)12(8-13(14)17-7-2)15-10(3)11(9-16)18-5/h10-13,15-16H,6-9H2,1-5H3
InChIKeyVWCCFEZNCWYLLA-UHFFFAOYSA-N
XLogP2.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-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

Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 65168094
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-N-hexan-3-yl-2-methylcyclobutan-1-amine
CID 65169181
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65167586
3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol (CID 106159068) is 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol is CCOC1CC(NC(C)C(CO)SC)C1(C)CC.
What is the InChIKey of 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is VWCCFEZNCWYLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-6-14(4)12(8-13(14)17-7-2)15-10(3)11(9-16)18-5/h10-13,15-16H,6-9H2,1-5H3.
What are the key properties of 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol?
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 275.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106159068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).