2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C11H16N2OS — CID 2854143

IUPAC2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCNC(=O)c1c(N)sc2c1CCCCC2
InChIInChI=1S/C11H16N2OS/c1-13-11(14)9-7-5-3-2-4-6-8(7)15-10(9)12/h2-6,12H2,1H3,(H,13,14)
InChIKeyXQCOFFXMUSTGGT-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.96
Rot. Bonds1

About 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 2854143) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID2854143
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCNC(=O)c1c(N)sc2c1CCCCC2
InChIInChI=1S/C11H16N2OS/c1-13-11(14)9-7-5-3-2-4-6-8(7)15-10(9)12/h2-6,12H2,1H3,(H,13,14)
InChIKeyXQCOFFXMUSTGGT-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 2854143) is 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is CNC(=O)c1c(N)sc2c1CCCCC2.
What is the InChIKey of 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is XQCOFFXMUSTGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13-11(14)9-7-5-3-2-4-6-8(7)15-10(9)12/h2-6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2854143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).