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

C11H17NO3S — CID 10705401

IUPAC5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde
SMILESCOCCN(CCOC)c1ccc(C=O)s1
InChIInChI=1S/C11H17NO3S/c1-14-7-5-12(6-8-15-2)11-4-3-10(9-13)16-11/h3-4,9H,5-8H2,1-2H3
InChIKeyCRHRGUKNOZRPHX-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.66
Rot. Bonds8

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

5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde (PubChem CID 10705401) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde
PubChem CID10705401
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde
SMILESCOCCN(CCOC)c1ccc(C=O)s1
InChIInChI=1S/C11H17NO3S/c1-14-7-5-12(6-8-15-2)11-4-3-10(9-13)16-11/h3-4,9H,5-8H2,1-2H3
InChIKeyCRHRGUKNOZRPHX-UHFFFAOYSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 3157939
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CID 2113341
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CID 2463177
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CID 2763540
CID 2763540
CID 21627268
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CID 44481102
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CID 11063106
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CID 15396909
CID 15396909
CID 15396910
CID 15396910
CID 57574455
CID 57574455
CID 167494764
CID 167494764

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde?
The IUPAC name of 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde (CID 10705401) is 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde is COCCN(CCOC)c1ccc(C=O)s1.
What is the InChIKey of 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde?
The InChIKey is CRHRGUKNOZRPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-14-7-5-12(6-8-15-2)11-4-3-10(9-13)16-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde?
5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde has a molecular weight of 243.33 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methoxyethyl)amino]thiophene-2-carbaldehyde is sourced from PubChem (CID 10705401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).