2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde

C8H11NOS — CID 115223017

IUPAC2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
SMILESCc1ccsc1CNCC=O
InChIInChI=1S/C8H11NOS/c1-7-2-5-11-8(7)6-9-3-4-10/h2,4-5,9H,3,6H2,1H3
InChIKeyRYRUYCARDFLTAH-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.35
Rot. Bonds4

About 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde

2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde (PubChem CID 115223017) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
PubChem CID115223017
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
SMILESCc1ccsc1CNCC=O
InChIInChI=1S/C8H11NOS/c1-7-2-5-11-8(7)6-9-3-4-10/h2,4-5,9H,3,6H2,1H3
InChIKeyRYRUYCARDFLTAH-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400029
4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 51888577
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
5-[(3-methylthiophen-2-yl)methylamino]pentanoic acid
CID 103259614
4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380259
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
1,1-dimethyl-2-[(3-methylthiophen-2-yl)methyl]hydrazine
CID 83003822
1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
3,3-dimethyl-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115220368

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde (CID 115223017) is 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde is Cc1ccsc1CNCC=O.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde?
The InChIKey is RYRUYCARDFLTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-7-2-5-11-8(7)6-9-3-4-10/h2,4-5,9H,3,6H2,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde?
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde has a molecular weight of 169.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde is sourced from PubChem (CID 115223017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).