N-(cycloheptylideneamino)thiophene-2-carboxamide

C12H16N2OS — CID 3143303

IUPACN-(cycloheptylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cccs1
InChIInChI=1S/C12H16N2OS/c15-12(11-8-5-9-16-11)14-13-10-6-3-1-2-4-7-10/h5,8-9H,1-4,6-7H2,(H,14,15)
InChIKeyFCPLLNWGBSOFQT-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.19
Rot. Bonds2

About N-(cycloheptylideneamino)thiophene-2-carboxamide

N-(cycloheptylideneamino)thiophene-2-carboxamide (PubChem CID 3143303) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(cycloheptylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)thiophene-2-carboxamide
PubChem CID3143303
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(cycloheptylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cccs1
InChIInChI=1S/C12H16N2OS/c15-12(11-8-5-9-16-11)14-13-10-6-3-1-2-4-7-10/h5,8-9H,1-4,6-7H2,(H,14,15)
InChIKeyFCPLLNWGBSOFQT-UHFFFAOYSA-N
XLogP3.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.19
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-(cycloheptylideneamino)thiophene-2-carboxamide?
The IUPAC name of N-(cycloheptylideneamino)thiophene-2-carboxamide (CID 3143303) is N-(cycloheptylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(cycloheptylideneamino)thiophene-2-carboxamide?
The canonical SMILES for N-(cycloheptylideneamino)thiophene-2-carboxamide is O=C(NN=C1CCCCCC1)c1cccs1.
What is the InChIKey of N-(cycloheptylideneamino)thiophene-2-carboxamide?
The InChIKey is FCPLLNWGBSOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-12(11-8-5-9-16-11)14-13-10-6-3-1-2-4-7-10/h5,8-9H,1-4,6-7H2,(H,14,15).
What are the key properties of N-(cycloheptylideneamino)thiophene-2-carboxamide?
N-(cycloheptylideneamino)thiophene-2-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 3143303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).