ethane;5-ethylthiophene-2-carbaldehyde;methanamine

C10H19NOS — CID 143347263

IUPACethane;5-ethylthiophene-2-carbaldehyde;methanamine
SMILESCC.CCc1ccc(C=O)s1.CN
InChIInChI=1S/C7H8OS.C2H6.CH5N/c1-2-6-3-4-7(5-8)9-6;2*1-2/h3-5H,2H2,1H3;1-2H3;2H2,1H3
InChIKeyFDXSSFSRQAWYNO-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.72
Rot. Bonds2

About ethane;5-ethylthiophene-2-carbaldehyde;methanamine

ethane;5-ethylthiophene-2-carbaldehyde;methanamine (PubChem CID 143347263) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is ethane;5-ethylthiophene-2-carbaldehyde;methanamine.

Molecular Properties

Compound Nameethane;5-ethylthiophene-2-carbaldehyde;methanamine
PubChem CID143347263
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Nameethane;5-ethylthiophene-2-carbaldehyde;methanamine
SMILESCC.CCc1ccc(C=O)s1.CN
InChIInChI=1S/C7H8OS.C2H6.CH5N/c1-2-6-3-4-7(5-8)9-6;2*1-2/h3-5H,2H2,1H3;1-2H3;2H2,1H3
InChIKeyFDXSSFSRQAWYNO-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethylthiophen-2-yl)acetaldehyde
CID 63967769
2,5-diethylthiophene
CID 521294
5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde
CID 88680246
5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde
CID 59825725
2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
CID 62318682
(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid
CID 55255248
2-[2-(bromomethyl)-3-methylbut-1-enyl]-5-ethylthiophene
CID 79323820
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
3-(5-formylthiophen-2-yl)propanoic acid
CID 15115397
2-ethyl-5-methylthiophene;formic acid
CID 143679762
methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
CID 70628274
5-(6-methylheptyl)thiophene-2-carbaldehyde
CID 174915390

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethylthiophene-2-carbaldehyde;methanamine?
The IUPAC name of ethane;5-ethylthiophene-2-carbaldehyde;methanamine (CID 143347263) is ethane;5-ethylthiophene-2-carbaldehyde;methanamine.
What is the SMILES notation for ethane;5-ethylthiophene-2-carbaldehyde;methanamine?
The canonical SMILES for ethane;5-ethylthiophene-2-carbaldehyde;methanamine is CC.CCc1ccc(C=O)s1.CN.
What is the InChIKey of ethane;5-ethylthiophene-2-carbaldehyde;methanamine?
The InChIKey is FDXSSFSRQAWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS.C2H6.CH5N/c1-2-6-3-4-7(5-8)9-6;2*1-2/h3-5H,2H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;5-ethylthiophene-2-carbaldehyde;methanamine?
ethane;5-ethylthiophene-2-carbaldehyde;methanamine has a molecular weight of 201.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethylthiophene-2-carbaldehyde;methanamine is sourced from PubChem (CID 143347263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).