1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one

C11H15NOS — CID 116601649

IUPAC1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
SMILESNC(C(=O)CCC1CC1)c1cccs1
InChIInChI=1S/C11H15NOS/c12-11(10-2-1-7-14-10)9(13)6-5-8-3-4-8/h1-2,7-8,11H,3-6,12H2
InChIKeyUYKYLCWGGFZHFF-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.51
Rot. Bonds5

About 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one

1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one (PubChem CID 116601649) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
PubChem CID116601649
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
SMILESNC(C(=O)CCC1CC1)c1cccs1
InChIInChI=1S/C11H15NOS/c12-11(10-2-1-7-14-10)9(13)6-5-8-3-4-8/h1-2,7-8,11H,3-6,12H2
InChIKeyUYKYLCWGGFZHFF-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
1-amino-1-thiophen-2-ylhept-6-yn-2-one
CID 116601549
1-amino-6-methyl-1-thiophen-2-ylheptan-2-one
CID 116601583
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
1-amino-1-thiophen-2-ylpent-4-en-2-one
CID 116601434
2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
2-amino-N-(4-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 115286803
2-amino-N-(cyclopropylmethyl)-N-propyl-2-thiophen-2-ylacetamide
CID 115286111
2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 113279219
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 113487602
1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
CID 116601482

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one (CID 116601649) is 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one is NC(C(=O)CCC1CC1)c1cccs1.
What is the InChIKey of 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
The InChIKey is UYKYLCWGGFZHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-11(10-2-1-7-14-10)9(13)6-5-8-3-4-8/h1-2,7-8,11H,3-6,12H2.
What are the key properties of 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one?
1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one has a molecular weight of 209.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 116601649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).