1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea

C8H15N3S — CID 2809356

IUPAC1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea
SMILESNNC(=S)NC1CC2CCC1C2
InChIInChI=1S/C8H15N3S/c9-11-8(12)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4,9H2,(H2,10,11,12)
InChIKeySXGAFZBXRRCGPL-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.51
Rot. Bonds1

About 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea

1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea (PubChem CID 2809356) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea
PubChem CID2809356
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea
SMILESNNC(=S)NC1CC2CCC1C2
InChIInChI=1S/C8H15N3S/c9-11-8(12)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4,9H2,(H2,10,11,12)
InChIKeySXGAFZBXRRCGPL-UHFFFAOYSA-N
XLogP0.51
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea?
The IUPAC name of 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea (CID 2809356) is 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea?
The canonical SMILES for 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea is NNC(=S)NC1CC2CCC1C2.
What is the InChIKey of 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea?
The InChIKey is SXGAFZBXRRCGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c9-11-8(12)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4,9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea?
1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea has a molecular weight of 185.30 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-bicyclo[2.2.1]heptanyl)thiourea is sourced from PubChem (CID 2809356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).