1-(3-aminothiophen-2-yl)ethanol

C6H9NOS — CID 55291092

IUPAC1-(3-aminothiophen-2-yl)ethanol
SMILESCC(O)c1sccc1N
InChIInChI=1S/C6H9NOS/c1-4(8)6-5(7)2-3-9-6/h2-4,8H,7H2,1H3
InChIKeyNSVVJAJNZNDTMT-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.38
Rot. Bonds1

About 1-(3-aminothiophen-2-yl)ethanol

1-(3-aminothiophen-2-yl)ethanol (PubChem CID 55291092) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(3-aminothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminothiophen-2-yl)ethanol
PubChem CID55291092
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(3-aminothiophen-2-yl)ethanol
SMILESCC(O)c1sccc1N
InChIInChI=1S/C6H9NOS/c1-4(8)6-5(7)2-3-9-6/h2-4,8H,7H2,1H3
InChIKeyNSVVJAJNZNDTMT-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminothiophen-2-yl)ethanol?
The IUPAC name of 1-(3-aminothiophen-2-yl)ethanol (CID 55291092) is 1-(3-aminothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-aminothiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-aminothiophen-2-yl)ethanol is CC(O)c1sccc1N.
What is the InChIKey of 1-(3-aminothiophen-2-yl)ethanol?
The InChIKey is NSVVJAJNZNDTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4(8)6-5(7)2-3-9-6/h2-4,8H,7H2,1H3.
What are the key properties of 1-(3-aminothiophen-2-yl)ethanol?
1-(3-aminothiophen-2-yl)ethanol has a molecular weight of 143.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminothiophen-2-yl)ethanol is sourced from PubChem (CID 55291092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).