1-(cyclohexylideneamino)-3-methylthiourea

C8H15N3S — CID 2806662

IUPAC1-(cyclohexylideneamino)-3-methylthiourea
SMILESCNC(=S)NN=C1CCCCC1
InChIInChI=1S/C8H15N3S/c1-9-8(12)11-10-7-5-3-2-4-6-7/h2-6H2,1H3,(H2,9,11,12)
InChIKeySXXRCHPYAGAKAE-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.40
Rot. Bonds1

About 1-(cyclohexylideneamino)-3-methylthiourea

1-(cyclohexylideneamino)-3-methylthiourea (PubChem CID 2806662) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-(cyclohexylideneamino)-3-methylthiourea.

Molecular Properties

Compound Name1-(cyclohexylideneamino)-3-methylthiourea
PubChem CID2806662
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-(cyclohexylideneamino)-3-methylthiourea
SMILESCNC(=S)NN=C1CCCCC1
InChIInChI=1S/C8H15N3S/c1-9-8(12)11-10-7-5-3-2-4-6-7/h2-6H2,1H3,(H2,9,11,12)
InChIKeySXXRCHPYAGAKAE-UHFFFAOYSA-N
XLogP1.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.40
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 1-(cyclohexylideneamino)-3-methylthiourea 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 1-(cyclohexylideneamino)-3-methylthiourea?
The IUPAC name of 1-(cyclohexylideneamino)-3-methylthiourea (CID 2806662) is 1-(cyclohexylideneamino)-3-methylthiourea.
What is the SMILES notation for 1-(cyclohexylideneamino)-3-methylthiourea?
The canonical SMILES for 1-(cyclohexylideneamino)-3-methylthiourea is CNC(=S)NN=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylideneamino)-3-methylthiourea?
The InChIKey is SXXRCHPYAGAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-9-8(12)11-10-7-5-3-2-4-6-7/h2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-(cyclohexylideneamino)-3-methylthiourea?
1-(cyclohexylideneamino)-3-methylthiourea has a molecular weight of 185.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylideneamino)-3-methylthiourea is sourced from PubChem (CID 2806662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).