(cyclohexylcarbamothioylamino)urea

C8H16N4OS — CID 2422680

IUPAC(cyclohexylcarbamothioylamino)urea
SMILESNC(=O)NNC(=S)NC1CCCCC1
InChIInChI=1S/C8H16N4OS/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,11,13)(H2,10,12,14)
InChIKeyGOXUIIVLDWTGIF-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.37
Rot. Bonds1

About (cyclohexylcarbamothioylamino)urea

(cyclohexylcarbamothioylamino)urea (PubChem CID 2422680) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is (cyclohexylcarbamothioylamino)urea.

Molecular Properties

Compound Name(cyclohexylcarbamothioylamino)urea
PubChem CID2422680
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name(cyclohexylcarbamothioylamino)urea
SMILESNC(=O)NNC(=S)NC1CCCCC1
InChIInChI=1S/C8H16N4OS/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,11,13)(H2,10,12,14)
InChIKeyGOXUIIVLDWTGIF-UHFFFAOYSA-N
XLogP0.37
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (cyclohexylcarbamothioylamino)urea 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 (cyclohexylcarbamothioylamino)urea?
The IUPAC name of (cyclohexylcarbamothioylamino)urea (CID 2422680) is (cyclohexylcarbamothioylamino)urea.
What is the SMILES notation for (cyclohexylcarbamothioylamino)urea?
The canonical SMILES for (cyclohexylcarbamothioylamino)urea is NC(=O)NNC(=S)NC1CCCCC1.
What is the InChIKey of (cyclohexylcarbamothioylamino)urea?
The InChIKey is GOXUIIVLDWTGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,11,13)(H2,10,12,14).
What are the key properties of (cyclohexylcarbamothioylamino)urea?
(cyclohexylcarbamothioylamino)urea has a molecular weight of 216.31 g/mol, XLogP of 0.37, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylcarbamothioylamino)urea is sourced from PubChem (CID 2422680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).