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

C15H22N2OS — CID 698871

IUPAC2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NC1CCCCC1)CCCC2
InChIInChI=1S/C15H22N2OS/c16-14-13(11-8-4-5-9-12(11)19-14)15(18)17-10-6-2-1-3-7-10/h10H,1-9,16H2,(H,17,18)
InChIKeyMMFKBSDLBIZJLI-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.27
Rot. Bonds2

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

2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 698871) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID698871
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NC1CCCCC1)CCCC2
InChIInChI=1S/C15H22N2OS/c16-14-13(11-8-4-5-9-12(11)19-14)15(18)17-10-6-2-1-3-7-10/h10H,1-9,16H2,(H,17,18)
InChIKeyMMFKBSDLBIZJLI-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.27
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-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 698871) is 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2.
What is the InChIKey of 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is MMFKBSDLBIZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-14-13(11-8-4-5-9-12(11)19-14)15(18)17-10-6-2-1-3-7-10/h10H,1-9,16H2,(H,17,18).
What are the key properties of 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 698871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).