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

C12H18N2OS — CID 2887357

IUPAC2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCCC1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C12H18N2OS/c1-2-3-7-4-5-8-9(6-7)16-12(14)10(8)11(13)15/h7H,2-6,14H2,1H3,(H2,13,15)
InChIKeyGRAQHIIJRKEFBF-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.33
Rot. Bonds3

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

2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2887357) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID2887357
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCCC1CCc2c(sc(N)c2C(N)=O)C1
InChIInChI=1S/C12H18N2OS/c1-2-3-7-4-5-8-9(6-7)16-12(14)10(8)11(13)15/h7H,2-6,14H2,1H3,(H2,13,15)
InChIKeyGRAQHIIJRKEFBF-UHFFFAOYSA-N
XLogP2.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.33
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-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2887357) is 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCCC1CCc2c(sc(N)c2C(N)=O)C1.
What is the InChIKey of 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is GRAQHIIJRKEFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-3-7-4-5-8-9(6-7)16-12(14)10(8)11(13)15/h7H,2-6,14H2,1H3,(H2,13,15).
What are the key properties of 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2887357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).