4-amino-5-methyl-1-thiophen-3-ylhexan-2-one

C11H17NOS — CID 116606372

IUPAC4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-8(2)11(12)6-10(13)5-9-3-4-14-7-9/h3-4,7-8,11H,5-6,12H2,1-2H3
InChIKeyFNWRWFYDYYJBOZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.23
Rot. Bonds5

About 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one

4-amino-5-methyl-1-thiophen-3-ylhexan-2-one (PubChem CID 116606372) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
PubChem CID116606372
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-8(2)11(12)6-10(13)5-9-3-4-14-7-9/h3-4,7-8,11H,5-6,12H2,1-2H3
InChIKeyFNWRWFYDYYJBOZ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-thiophen-3-ylheptan-2-one
CID 116607941
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
4-amino-1-(4-iodophenyl)-5-methylhexan-2-one
CID 116606384
[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
CID 101245181
4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
CID 11221413
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
CID 116613568
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
CID 62652889
1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one?
The IUPAC name of 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one (CID 116606372) is 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one.
What is the SMILES notation for 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one?
The canonical SMILES for 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one is CC(C)C(N)CC(=O)Cc1ccsc1.
What is the InChIKey of 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one?
The InChIKey is FNWRWFYDYYJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(2)11(12)6-10(13)5-9-3-4-14-7-9/h3-4,7-8,11H,5-6,12H2,1-2H3.
What are the key properties of 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one?
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-thiophen-3-ylhexan-2-one is sourced from PubChem (CID 116606372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).