2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C11H16N2OS — CID 2861874

IUPAC2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCC1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C11H16N2OS/c1-2-6-3-4-7-8(5-6)15-11(13)9(7)10(12)14/h6H,2-5,13H2,1H3,(H2,12,14)
InChIKeyDDTYZCRSUWTPDY-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.94
Rot. Bonds2

About 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2861874) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID2861874
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCC1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C11H16N2OS/c1-2-6-3-4-7-8(5-6)15-11(13)9(7)10(12)14/h6H,2-5,13H2,1H3,(H2,12,14)
InChIKeyDDTYZCRSUWTPDY-UHFFFAOYSA-N
XLogP1.94
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', '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-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673481
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one
CID 718273
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
Methyl (3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate
CID 2887176
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862027
5,6,7,8-Tetrahydro-7-methyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 2790041
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852749
2-[(2-Ethylbutanoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3652254

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2861874) is 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCC1CCc2c(sc(N)c2C(N)=O)C1.
What is the InChIKey of 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is DDTYZCRSUWTPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-6-3-4-7-8(5-6)15-11(13)9(7)10(12)14/h6H,2-5,13H2,1H3,(H2,12,14).
What are the key properties of 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2861874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).