4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde

C12H17NOS — CID 107399474

IUPAC4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde
SMILESCCN(CC1CCC1)c1csc(C=O)c1
InChIInChI=1S/C12H17NOS/c1-2-13(7-10-4-3-5-10)11-6-12(8-14)15-9-11/h6,8-10H,2-5,7H2,1H3
InChIKeySGESFDJQTWQWNU-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.19
Rot. Bonds5

About 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde

4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde (PubChem CID 107399474) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde
PubChem CID107399474
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde
SMILESCCN(CC1CCC1)c1csc(C=O)c1
InChIInChI=1S/C12H17NOS/c1-2-13(7-10-4-3-5-10)11-6-12(8-14)15-9-11/h6,8-10H,2-5,7H2,1H3
InChIKeySGESFDJQTWQWNU-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
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 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde (CID 107399474) is 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde is CCN(CC1CCC1)c1csc(C=O)c1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde?
The InChIKey is SGESFDJQTWQWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-13(7-10-4-3-5-10)11-6-12(8-14)15-9-11/h6,8-10H,2-5,7H2,1H3.
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde?
4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde has a molecular weight of 223.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde is sourced from PubChem (CID 107399474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).