5-amino-1-(2-methylthiophen-3-yl)pentan-1-one

C10H15NOS — CID 102839436

IUPAC5-amino-1-(2-methylthiophen-3-yl)pentan-1-one
SMILESCc1sccc1C(=O)CCCCN
InChIInChI=1S/C10H15NOS/c1-8-9(5-7-13-8)10(12)4-2-3-6-11/h5,7H,2-4,6,11H2,1H3
InChIKeyOKKWHBWAVOKJHB-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.37
Rot. Bonds5

About 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one

5-amino-1-(2-methylthiophen-3-yl)pentan-1-one (PubChem CID 102839436) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-1-(2-methylthiophen-3-yl)pentan-1-one
PubChem CID102839436
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name5-amino-1-(2-methylthiophen-3-yl)pentan-1-one
SMILESCc1sccc1C(=O)CCCCN
InChIInChI=1S/C10H15NOS/c1-8-9(5-7-13-8)10(12)4-2-3-6-11/h5,7H,2-4,6,11H2,1H3
InChIKeyOKKWHBWAVOKJHB-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-5-methyl-1-(2-methylthiophen-3-yl)hexan-1-one
CID 102839475
3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
CID 102830655
1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one
CID 102839923
bis(2-methylthiophen-3-yl)methanone
CID 101441488
7-amino-1-(2,4,5-trimethylphenyl)heptan-1-one
CID 116551392
7-amino-1-(2,3-difluoro-4-methylphenyl)heptan-1-one
CID 107514831
7-amino-1-(2,4-dimethylphenyl)heptan-1-one
CID 116551380
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone
CID 103168178
5-(2-methylthiophen-3-yl)pentan-1-amine
CID 129015928
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
7-amino-1-(3,4-dimethylphenyl)heptan-1-one
CID 116551492

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one?
The IUPAC name of 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one (CID 102839436) is 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one.
What is the SMILES notation for 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one?
The canonical SMILES for 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one is Cc1sccc1C(=O)CCCCN.
What is the InChIKey of 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one?
The InChIKey is OKKWHBWAVOKJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8-9(5-7-13-8)10(12)4-2-3-6-11/h5,7H,2-4,6,11H2,1H3.
What are the key properties of 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one?
5-amino-1-(2-methylthiophen-3-yl)pentan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylthiophen-3-yl)pentan-1-one is sourced from PubChem (CID 102839436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).