N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C15H20N2OS — CID 16556261

IUPACN-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NN=C3CCCC3)cc2C1
InChIInChI=1S/C15H20N2OS/c1-10-6-7-13-11(8-10)9-14(19-13)15(18)17-16-12-4-2-3-5-12/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyFJKYXTIUISMPES-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.53
Rot. Bonds2

About N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 16556261) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID16556261
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NN=C3CCCC3)cc2C1
InChIInChI=1S/C15H20N2OS/c1-10-6-7-13-11(8-10)9-14(19-13)15(18)17-16-12-4-2-3-5-12/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyFJKYXTIUISMPES-UHFFFAOYSA-N
XLogP3.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 16556261) is N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC1CCc2sc(C(=O)NN=C3CCCC3)cc2C1.
What is the InChIKey of N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is FJKYXTIUISMPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-6-7-13-11(8-10)9-14(19-13)15(18)17-16-12-4-2-3-5-12/h9-10H,2-8H2,1H3,(H,17,18).
What are the key properties of N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 16556261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).