5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde

C6H7NO2S — CID 118219364

IUPAC5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde
SMILESCN(O)c1ccc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-7(9)6-3-2-5(4-8)10-6/h2-4,9H,1H3
InChIKeyQWPFQAVOZYDFLW-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.39
Rot. Bonds2

About 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde

5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde (PubChem CID 118219364) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde
PubChem CID118219364
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde
SMILESCN(O)c1ccc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-7(9)6-3-2-5(4-8)10-6/h2-4,9H,1H3
InChIKeyQWPFQAVOZYDFLW-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[butyl(methyl)amino]thiophene-2-carbaldehyde
CID 59211607
5-formyl-N,N-dimethylthiophene-2-carboxamide
CID 15007350
3-[(5-formylthiophen-2-yl)-methylamino]-N-methylpropanamide
CID 106916121
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
5-trimethylgermylthiophene-2-carbaldehyde
CID 15686472
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]thiophene-2-carbaldehyde
CID 79313530
(5-formylthiophen-2-yl) propanoate
CID 90706669
[2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid
CID 87860736
(5-formylthiophen-2-yl) acetate
CID 54239970
5-methylsulfonylthiophene-2-carbaldehyde
CID 20623963
5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde
CID 85145052
5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde
CID 138667112

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde?
The IUPAC name of 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde (CID 118219364) is 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde is CN(O)c1ccc(C=O)s1.
What is the InChIKey of 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde?
The InChIKey is QWPFQAVOZYDFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-7(9)6-3-2-5(4-8)10-6/h2-4,9H,1H3.
What are the key properties of 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde?
5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde has a molecular weight of 157.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde is sourced from PubChem (CID 118219364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).