5-(dipropylamino)thiophene-2-carbaldehyde

C11H17NOS — CID 18401279

IUPAC5-(dipropylamino)thiophene-2-carbaldehyde
SMILESCCCN(CCC)c1ccc(C=O)s1
InChIInChI=1S/C11H17NOS/c1-3-7-12(8-4-2)11-6-5-10(9-13)14-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMDKKCUNPAKHCBG-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.19
Rot. Bonds6

About 5-(dipropylamino)thiophene-2-carbaldehyde

5-(dipropylamino)thiophene-2-carbaldehyde (PubChem CID 18401279) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(dipropylamino)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(dipropylamino)thiophene-2-carbaldehyde
PubChem CID18401279
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name5-(dipropylamino)thiophene-2-carbaldehyde
SMILESCCCN(CCC)c1ccc(C=O)s1
InChIInChI=1S/C11H17NOS/c1-3-7-12(8-4-2)11-6-5-10(9-13)14-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMDKKCUNPAKHCBG-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dipropylamino)thiophene-2-carbaldehyde?
The IUPAC name of 5-(dipropylamino)thiophene-2-carbaldehyde (CID 18401279) is 5-(dipropylamino)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(dipropylamino)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(dipropylamino)thiophene-2-carbaldehyde is CCCN(CCC)c1ccc(C=O)s1.
What is the InChIKey of 5-(dipropylamino)thiophene-2-carbaldehyde?
The InChIKey is MDKKCUNPAKHCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-7-12(8-4-2)11-6-5-10(9-13)14-11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(dipropylamino)thiophene-2-carbaldehyde?
5-(dipropylamino)thiophene-2-carbaldehyde has a molecular weight of 211.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)thiophene-2-carbaldehyde is sourced from PubChem (CID 18401279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).