5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde

C9H13NO3S — CID 10560627

IUPAC5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N(CCO)CCO)s1
InChIInChI=1S/C9H13NO3S/c11-5-3-10(4-6-12)9-2-1-8(7-13)14-9/h1-2,7,11-12H,3-6H2
InChIKeyVAJLAQUCUFRPED-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.35
Rot. Bonds6

About 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde

5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde (PubChem CID 10560627) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde
PubChem CID10560627
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N(CCO)CCO)s1
InChIInChI=1S/C9H13NO3S/c11-5-3-10(4-6-12)9-2-1-8(7-13)14-9/h1-2,7,11-12H,3-6H2
InChIKeyVAJLAQUCUFRPED-UHFFFAOYSA-N
XLogP0.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde?
The IUPAC name of 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde (CID 10560627) is 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde is O=Cc1ccc(N(CCO)CCO)s1.
What is the InChIKey of 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde?
The InChIKey is VAJLAQUCUFRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c11-5-3-10(4-6-12)9-2-1-8(7-13)14-9/h1-2,7,11-12H,3-6H2.
What are the key properties of 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde?
5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde has a molecular weight of 215.27 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethyl)amino]thiophene-2-carbaldehyde is sourced from PubChem (CID 10560627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).