2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol

C13H21NO3S — CID 106434869

IUPAC2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol
SMILESCCOC1CC(NCC(O)c2ccsc2)C1OC
InChIInChI=1S/C13H21NO3S/c1-3-17-12-6-10(13(12)16-2)14-7-11(15)9-4-5-18-8-9/h4-5,8,10-15H,3,6-7H2,1-2H3
InChIKeyLLQHXBPOCMBLSP-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.56
Rot. Bonds7

About 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol

2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol (PubChem CID 106434869) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol
PubChem CID106434869
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol
SMILESCCOC1CC(NCC(O)c2ccsc2)C1OC
InChIInChI=1S/C13H21NO3S/c1-3-17-12-6-10(13(12)16-2)14-7-11(15)9-4-5-18-8-9/h4-5,8,10-15H,3,6-7H2,1-2H3
InChIKeyLLQHXBPOCMBLSP-UHFFFAOYSA-N
XLogP1.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
CID 114099390
2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol
CID 106434840
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435077
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
CID 113365056
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol (CID 106434869) is 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol is CCOC1CC(NCC(O)c2ccsc2)C1OC.
What is the InChIKey of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is LLQHXBPOCMBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-17-12-6-10(13(12)16-2)14-7-11(15)9-4-5-18-8-9/h4-5,8,10-15H,3,6-7H2,1-2H3.
What are the key properties of 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol?
2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 271.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-methoxycyclobutyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).