1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea

C14H26N2OS — CID 103767956

IUPAC1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea
SMILESCC(NC(=S)NC1CCCCC1)C1CCOCC1
InChIInChI=1S/C14H26N2OS/c1-11(12-7-9-17-10-8-12)15-14(18)16-13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H2,15,16,18)
InChIKeyOZKFKSXOWOUXEH-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.60
Rot. Bonds3

About 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea

1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea (PubChem CID 103767956) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea
PubChem CID103767956
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea
SMILESCC(NC(=S)NC1CCCCC1)C1CCOCC1
InChIInChI=1S/C14H26N2OS/c1-11(12-7-9-17-10-8-12)15-14(18)16-13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H2,15,16,18)
InChIKeyOZKFKSXOWOUXEH-UHFFFAOYSA-N
XLogP2.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]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 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea (CID 103767956) is 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea is CC(NC(=S)NC1CCCCC1)C1CCOCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea?
The InChIKey is OZKFKSXOWOUXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(12-7-9-17-10-8-12)15-14(18)16-13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea?
1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea has a molecular weight of 270.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(oxan-4-yl)ethyl]thiourea is sourced from PubChem (CID 103767956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).