3-amino-3-(5-methylthiophen-2-yl)propanal

C8H11NOS — CID 142024929

IUPAC3-amino-3-(5-methylthiophen-2-yl)propanal
SMILESCc1ccc(C(N)CC=O)s1
InChIInChI=1S/C8H11NOS/c1-6-2-3-8(11-6)7(9)4-5-10/h2-3,5,7H,4,9H2,1H3
InChIKeyACRFXKUBQIUCMN-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.65
Rot. Bonds3

About 3-amino-3-(5-methylthiophen-2-yl)propanal

3-amino-3-(5-methylthiophen-2-yl)propanal (PubChem CID 142024929) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-amino-3-(5-methylthiophen-2-yl)propanal.

Molecular Properties

Compound Name3-amino-3-(5-methylthiophen-2-yl)propanal
PubChem CID142024929
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3-amino-3-(5-methylthiophen-2-yl)propanal
SMILESCc1ccc(C(N)CC=O)s1
InChIInChI=1S/C8H11NOS/c1-6-2-3-8(11-6)7(9)4-5-10/h2-3,5,7H,4,9H2,1H3
InChIKeyACRFXKUBQIUCMN-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.65
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

(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171202347
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 130602082
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 103031795
5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide
CID 62933991
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-methylthiophen-2-yl)propanal?
The IUPAC name of 3-amino-3-(5-methylthiophen-2-yl)propanal (CID 142024929) is 3-amino-3-(5-methylthiophen-2-yl)propanal.
What is the SMILES notation for 3-amino-3-(5-methylthiophen-2-yl)propanal?
The canonical SMILES for 3-amino-3-(5-methylthiophen-2-yl)propanal is Cc1ccc(C(N)CC=O)s1.
What is the InChIKey of 3-amino-3-(5-methylthiophen-2-yl)propanal?
The InChIKey is ACRFXKUBQIUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6-2-3-8(11-6)7(9)4-5-10/h2-3,5,7H,4,9H2,1H3.
What are the key properties of 3-amino-3-(5-methylthiophen-2-yl)propanal?
3-amino-3-(5-methylthiophen-2-yl)propanal has a molecular weight of 169.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-methylthiophen-2-yl)propanal is sourced from PubChem (CID 142024929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).