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

C11H17NOS — CID 116556957

IUPAC3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1cccs1
InChIInChI=1S/C11H17NOS/c1-3-6-11(2,12)10(13)8-9-5-4-7-14-9/h4-5,7H,3,6,8,12H2,1-2H3
InChIKeyDGYURUYOKCARNE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.38
Rot. Bonds5

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

3-amino-3-methyl-1-thiophen-2-ylhexan-2-one (PubChem CID 116556957) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
PubChem CID116556957
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1cccs1
InChIInChI=1S/C11H17NOS/c1-3-6-11(2,12)10(13)8-9-5-4-7-14-9/h4-5,7H,3,6,8,12H2,1-2H3
InChIKeyDGYURUYOKCARNE-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-methyl-1-thiophen-2-ylhexan-2-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-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
2-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pentanamide
CID 54946833
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 79667491
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986
2-methyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 110475965
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
3-methoxy-1-thiophen-2-ylhexan-2-one
CID 116708019
decyl 2-thiophen-2-ylacetate
CID 566129
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one?
The IUPAC name of 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one (CID 116556957) is 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one.
What is the SMILES notation for 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one?
The canonical SMILES for 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one is CCCC(C)(N)C(=O)Cc1cccs1.
What is the InChIKey of 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one?
The InChIKey is DGYURUYOKCARNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-6-11(2,12)10(13)8-9-5-4-7-14-9/h4-5,7H,3,6,8,12H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one?
3-amino-3-methyl-1-thiophen-2-ylhexan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-thiophen-2-ylhexan-2-one is sourced from PubChem (CID 116556957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).