(2-adamantylideneamino)thiourea

C11H17N3S — CID 700360

IUPAC(2-adamantylideneamino)thiourea
SMILESNC(=S)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17N3S/c12-11(15)14-13-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2,(H3,12,14,15)/b13-10-
InChIKeyGTQQBRFIPRJNNW-RAXLEYEMSA-N
MW223.34 g/mol
LogP1.63
Rot. Bonds1

About (2-adamantylideneamino)thiourea

(2-adamantylideneamino)thiourea (PubChem CID 700360) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is (2-adamantylideneamino)thiourea.

Molecular Properties

Compound Name(2-adamantylideneamino)thiourea
PubChem CID700360
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name(2-adamantylideneamino)thiourea
SMILESNC(=S)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17N3S/c12-11(15)14-13-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2,(H3,12,14,15)/b13-10-
InChIKeyGTQQBRFIPRJNNW-RAXLEYEMSA-N
XLogP1.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-adamantylideneamino)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-adamantylideneamino)thiourea?
The IUPAC name of (2-adamantylideneamino)thiourea (CID 700360) is (2-adamantylideneamino)thiourea.
What is the SMILES notation for (2-adamantylideneamino)thiourea?
The canonical SMILES for (2-adamantylideneamino)thiourea is NC(=S)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-adamantylideneamino)thiourea?
The InChIKey is GTQQBRFIPRJNNW-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H17N3S/c12-11(15)14-13-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2,(H3,12,14,15)/b13-10-.
What are the key properties of (2-adamantylideneamino)thiourea?
(2-adamantylideneamino)thiourea has a molecular weight of 223.34 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-adamantylideneamino)thiourea is sourced from PubChem (CID 700360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).