3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol

C14H23NO2S — CID 91652073

IUPAC3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(CNCc2cccs2)C1(C)C
InChIInChI=1S/C14H23NO2S/c1-4-17-12-8-14(16,13(12,2)3)10-15-9-11-6-5-7-18-11/h5-7,12,15-16H,4,8-10H2,1-3H3
InChIKeyCUOITVBODMRPBD-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.40
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol

3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol (PubChem CID 91652073) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
PubChem CID91652073
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(CNCc2cccs2)C1(C)C
InChIInChI=1S/C14H23NO2S/c1-4-17-12-8-14(16,13(12,2)3)10-15-9-11-6-5-7-18-11/h5-7,12,15-16H,4,8-10H2,1-3H3
InChIKeyCUOITVBODMRPBD-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methylamino]methyl]-4-fluorophenol
CID 124619964
cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol
CID 99826775
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
CID 99834377
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide
CID 129401810
3-ethoxy-2,2-dimethyl-1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 114830377
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol (CID 91652073) is 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol is CCOC1CC(O)(CNCc2cccs2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol?
The InChIKey is CUOITVBODMRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-17-12-8-14(16,13(12,2)3)10-15-9-11-6-5-7-18-11/h5-7,12,15-16H,4,8-10H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol?
3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 91652073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).