1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea

C14H22N2S — CID 2809369

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea
SMILESS=C(NC1CCCCC1)NC1CC2C=CC1C2
InChIInChI=1S/C14H22N2S/c17-14(15-12-4-2-1-3-5-12)16-13-9-10-6-7-11(13)8-10/h6-7,10-13H,1-5,8-9H2,(H2,15,16,17)
InChIKeyAUHQTANFKNNRIW-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.75
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea

1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea (PubChem CID 2809369) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea
PubChem CID2809369
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea
SMILESS=C(NC1CCCCC1)NC1CC2C=CC1C2
InChIInChI=1S/C14H22N2S/c17-14(15-12-4-2-1-3-5-12)16-13-9-10-6-7-11(13)8-10/h6-7,10-13H,1-5,8-9H2,(H2,15,16,17)
InChIKeyAUHQTANFKNNRIW-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-enyl)-3-cyclohexylthiourea?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea (CID 2809369) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea is S=C(NC1CCCCC1)NC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea?
The InChIKey is AUHQTANFKNNRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c17-14(15-12-4-2-1-3-5-12)16-13-9-10-6-7-11(13)8-10/h6-7,10-13H,1-5,8-9H2,(H2,15,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea?
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea has a molecular weight of 250.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclohexylthiourea is sourced from PubChem (CID 2809369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).