1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone

C12H19NOS — CID 65354827

IUPAC1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone
SMILESCCCCCc1sc(N)c(C(C)=O)c1C
InChIInChI=1S/C12H19NOS/c1-4-5-6-7-10-8(2)11(9(3)14)12(13)15-10/h4-7,13H2,1-3H3
InChIKeyKGJULLLOEBRVMO-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone

1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone (PubChem CID 65354827) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone
PubChem CID65354827
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone
SMILESCCCCCc1sc(N)c(C(C)=O)c1C
InChIInChI=1S/C12H19NOS/c1-4-5-6-7-10-8(2)11(9(3)14)12(13)15-10/h4-7,13H2,1-3H3
InChIKeyKGJULLLOEBRVMO-UHFFFAOYSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4H,5H,6H,7H,8H-cyclohepta(b)thiophene-3-carboxamide
CID 2997881
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 290223
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
2-Amino-4,5-dimethylthiophene-3-carboxamide
CID 592827
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 616673
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862027
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852749
2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
CID 722048
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2861874
2-Amino-4,5,6,7-tetrahydro-6-propylbenzo(b)thiophene-3-carboxamide
CID 2887357

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone?
The IUPAC name of 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone (CID 65354827) is 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone is CCCCCc1sc(N)c(C(C)=O)c1C.
What is the InChIKey of 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone?
The InChIKey is KGJULLLOEBRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-5-6-7-10-8(2)11(9(3)14)12(13)15-10/h4-7,13H2,1-3H3.
What are the key properties of 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone?
1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone has a molecular weight of 225.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-5-pentylthiophen-3-yl)ethanone is sourced from PubChem (CID 65354827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).