[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol

C8H13NO2S — CID 55270764

IUPAC[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol
SMILESCOCC(N)c1ccsc1CO
InChIInChI=1S/C8H13NO2S/c1-11-5-7(9)6-2-3-12-8(6)4-10/h2-3,7,10H,4-5,9H2,1H3
InChIKeyPUEBKCLKPYREBP-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.89
Rot. Bonds4

About [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol

[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol (PubChem CID 55270764) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol
PubChem CID55270764
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol
SMILESCOCC(N)c1ccsc1CO
InChIInChI=1S/C8H13NO2S/c1-11-5-7(9)6-2-3-12-8(6)4-10/h2-3,7,10H,4-5,9H2,1H3
InChIKeyPUEBKCLKPYREBP-UHFFFAOYSA-N
XLogP0.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminobutyl)thiophen-2-yl]methanol
CID 55272774
(3S)-3-amino-3-[2-(hydroxymethyl)thiophen-3-yl]propanenitrile
CID 55292478
[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol
CID 55292192
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841429
1-(2-methylthiophen-3-yl)-2-propoxyethanamine
CID 102832182
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine
CID 130927715
4-amino-2-(1-amino-2-methoxyethyl)phenol
CID 55294234
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
4-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55294329

Frequently Asked Questions

What is the IUPAC name of [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol?
The IUPAC name of [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol (CID 55270764) is [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol.
What is the SMILES notation for [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol?
The canonical SMILES for [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol is COCC(N)c1ccsc1CO.
What is the InChIKey of [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol?
The InChIKey is PUEBKCLKPYREBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-11-5-7(9)6-2-3-12-8(6)4-10/h2-3,7,10H,4-5,9H2,1H3.
What are the key properties of [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol?
[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol has a molecular weight of 187.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol is sourced from PubChem (CID 55270764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).