5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde

C10H13NO3S — CID 81205138

IUPAC5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCOC(CO)C2)s1
InChIInChI=1S/C10H13NO3S/c12-6-8-5-11(3-4-14-8)10-2-1-9(7-13)15-10/h1-2,7-8,12H,3-6H2
InChIKeyOWSAENGGZMADBW-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.76
Rot. Bonds3

About 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde

5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde (PubChem CID 81205138) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde
PubChem CID81205138
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCOC(CO)C2)s1
InChIInChI=1S/C10H13NO3S/c12-6-8-5-11(3-4-14-8)10-2-1-9(7-13)15-10/h1-2,7-8,12H,3-6H2
InChIKeyOWSAENGGZMADBW-UHFFFAOYSA-N
XLogP0.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde
CID 81204453
[4-[5-(ethylaminomethyl)-2-pyridinyl]morpholin-2-yl]methanol
CID 81204265
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
CID 106836357
2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608695
[4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholin-2-yl]methanol
CID 81205273
2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608983
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
methyl 4-[2-(hydroxymethyl)morpholin-4-yl]benzoate
CID 117008733
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
[4-(thiatriazol-5-yl)morpholin-2-yl]methanol
CID 117045194
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde (CID 81205138) is 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde is O=Cc1ccc(N2CCOC(CO)C2)s1.
What is the InChIKey of 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde?
The InChIKey is OWSAENGGZMADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-6-8-5-11(3-4-14-8)10-2-1-9(7-13)15-10/h1-2,7-8,12H,3-6H2.
What are the key properties of 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde?
5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde has a molecular weight of 227.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 81205138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).