3-amino-1-(3-methylthiophen-2-yl)hexan-1-one

C11H17NOS — CID 116607807

IUPAC3-amino-1-(3-methylthiophen-2-yl)hexan-1-one
SMILESCCCC(N)CC(=O)c1sccc1C
InChIInChI=1S/C11H17NOS/c1-3-4-9(12)7-10(13)11-8(2)5-6-14-11/h5-6,9H,3-4,7,12H2,1-2H3
InChIKeyYQPIIULFPACWMK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.76
Rot. Bonds5

About 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one

3-amino-1-(3-methylthiophen-2-yl)hexan-1-one (PubChem CID 116607807) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methylthiophen-2-yl)hexan-1-one
PubChem CID116607807
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-amino-1-(3-methylthiophen-2-yl)hexan-1-one
SMILESCCCC(N)CC(=O)c1sccc1C
InChIInChI=1S/C11H17NOS/c1-3-4-9(12)7-10(13)11-8(2)5-6-14-11/h5-6,9H,3-4,7,12H2,1-2H3
InChIKeyYQPIIULFPACWMK-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(3-methylthiophen-2-yl)hexan-1-one
CID 114968690
5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116610071
1-(3-methylthiophen-2-yl)heptan-1-one
CID 114752163
methyl 2-[2-(3-methylthiophen-2-yl)-2-oxoethyl]-4-oxo-4-phenylbutanoate
CID 138963398
3,5,5-trimethyl-1-(3-methylthiophen-2-yl)hexan-1-one
CID 63492543
2-(hydroxymethyl)-1-(3-methylthiophen-2-yl)butan-1-one
CID 116923143
6-amino-2-methyl-1-(3-methylthiophen-2-yl)heptan-1-one
CID 116574175
2-(4-aminophenyl)-1-(3-methylthiophen-2-yl)ethanone
CID 116549460
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
CID 115154152
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
The IUPAC name of 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one (CID 116607807) is 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
The canonical SMILES for 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one is CCCC(N)CC(=O)c1sccc1C.
What is the InChIKey of 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
The InChIKey is YQPIIULFPACWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-4-9(12)7-10(13)11-8(2)5-6-14-11/h5-6,9H,3-4,7,12H2,1-2H3.
What are the key properties of 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
3-amino-1-(3-methylthiophen-2-yl)hexan-1-one has a molecular weight of 211.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylthiophen-2-yl)hexan-1-one is sourced from PubChem (CID 116607807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).