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

C11H17NOS — CID 116601482

IUPAC1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
SMILESCCC(C)CC(=O)C(N)c1cccs1
InChIInChI=1S/C11H17NOS/c1-3-8(2)7-9(13)11(12)10-5-4-6-14-10/h4-6,8,11H,3,7,12H2,1-2H3
InChIKeyJUBYNEUWUHVMGV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.75
Rot. Bonds5

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

1-amino-4-methyl-1-thiophen-2-ylhexan-2-one (PubChem CID 116601482) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one.

Molecular Properties

Compound Name1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
PubChem CID116601482
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
SMILESCCC(C)CC(=O)C(N)c1cccs1
InChIInChI=1S/C11H17NOS/c1-3-8(2)7-9(13)11(12)10-5-4-6-14-10/h4-6,8,11H,3,7,12H2,1-2H3
InChIKeyJUBYNEUWUHVMGV-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
CID 116601464
(1R)-1-amino-4-methyl-1-phenylhexan-2-one
CID 104891009
1-amino-6-methyl-1-thiophen-2-ylheptan-2-one
CID 116601583
1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
1-amino-1-thiophen-2-ylpent-4-en-2-one
CID 116601434
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one?
The IUPAC name of 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one (CID 116601482) is 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one.
What is the SMILES notation for 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one?
The canonical SMILES for 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one is CCC(C)CC(=O)C(N)c1cccs1.
What is the InChIKey of 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one?
The InChIKey is JUBYNEUWUHVMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-8(2)7-9(13)11(12)10-5-4-6-14-10/h4-6,8,11H,3,7,12H2,1-2H3.
What are the key properties of 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one?
1-amino-4-methyl-1-thiophen-2-ylhexan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-1-thiophen-2-ylhexan-2-one is sourced from PubChem (CID 116601482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).