1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one

C12H17NOS — CID 116599394

IUPAC1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one
SMILESNCC1(CC(=O)Cc2cccs2)CCC1
InChIInChI=1S/C12H17NOS/c13-9-12(4-2-5-12)8-10(14)7-11-3-1-6-15-11/h1,3,6H,2,4-5,7-9,13H2
InChIKeyBEYXPYTWMLXFJT-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.38
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one

1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one (PubChem CID 116599394) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one
PubChem CID116599394
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one
SMILESNCC1(CC(=O)Cc2cccs2)CCC1
InChIInChI=1S/C12H17NOS/c13-9-12(4-2-5-12)8-10(14)7-11-3-1-6-15-11/h1,3,6H,2,4-5,7-9,13H2
InChIKeyBEYXPYTWMLXFJT-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-(2,6-dimethylphenyl)propan-2-one
CID 116614360
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116599561
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
CID 115364188
1-(cyclopentylamino)-3-thiophen-2-ylpropan-2-one
CID 116558991
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 81172882
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116749303
ethyl 2-[1-(2-thiophen-2-ylethyl)cyclopentyl]acetate
CID 10778190
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one (CID 116599394) is 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one is NCC1(CC(=O)Cc2cccs2)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one?
The InChIKey is BEYXPYTWMLXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c13-9-12(4-2-5-12)8-10(14)7-11-3-1-6-15-11/h1,3,6H,2,4-5,7-9,13H2.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one?
1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one has a molecular weight of 223.34 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 1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116599394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).