2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol

C13H23NO3S — CID 106434954

IUPAC2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
SMILESCCOC(CCNCC(O)c1ccsc1)OCC
InChIInChI=1S/C13H23NO3S/c1-3-16-13(17-4-2)5-7-14-9-12(15)11-6-8-18-10-11/h6,8,10,12-15H,3-5,7,9H2,1-2H3
InChIKeyTYAIOYKQEIJKKK-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.16
Rot. Bonds10

About 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol

2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol (PubChem CID 106434954) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
PubChem CID106434954
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
SMILESCCOC(CCNCC(O)c1ccsc1)OCC
InChIInChI=1S/C13H23NO3S/c1-3-16-13(17-4-2)5-7-14-9-12(15)11-6-8-18-10-11/h6,8,10,12-15H,3-5,7,9H2,1-2H3
InChIKeyTYAIOYKQEIJKKK-UHFFFAOYSA-N
XLogP2.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol (CID 106434954) is 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol is CCOC(CCNCC(O)c1ccsc1)OCC.
What is the InChIKey of 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol?
The InChIKey is TYAIOYKQEIJKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-3-16-13(17-4-2)5-7-14-9-12(15)11-6-8-18-10-11/h6,8,10,12-15H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol?
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol has a molecular weight of 273.40 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).