1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide

C14H21N3OS — CID 2805634

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)NC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H21N3OS/c15-13(18)10-3-5-17(6-4-10)14(19)16-12-8-9-1-2-11(12)7-9/h1-2,9-12H,3-8H2,(H2,15,18)(H,16,19)
InChIKeyMIHPGGMXKKSXKE-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.02
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide

1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide (PubChem CID 2805634) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide
PubChem CID2805634
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)NC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H21N3OS/c15-13(18)10-3-5-17(6-4-10)14(19)16-12-8-9-1-2-11(12)7-9/h1-2,9-12H,3-8H2,(H2,15,18)(H,16,19)
InChIKeyMIHPGGMXKKSXKE-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide (CID 2805634) is 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=S)NC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide?
The InChIKey is MIHPGGMXKKSXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c15-13(18)10-3-5-17(6-4-10)14(19)16-12-8-9-1-2-11(12)7-9/h1-2,9-12H,3-8H2,(H2,15,18)(H,16,19).
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide?
1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperidine-4-carboxamide is sourced from PubChem (CID 2805634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).