(1-cyclohexyloxypropan-2-ylideneamino)thiourea

C10H19N3OS — CID 4651419

IUPAC(1-cyclohexyloxypropan-2-ylideneamino)thiourea
SMILESCC(COC1CCCCC1)=NNC(N)=S
InChIInChI=1S/C10H19N3OS/c1-8(12-13-10(11)15)7-14-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,11,13,15)
InChIKeyYBOTZIZGXVWOGS-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.54
Rot. Bonds4

About (1-cyclohexyloxypropan-2-ylideneamino)thiourea

(1-cyclohexyloxypropan-2-ylideneamino)thiourea (PubChem CID 4651419) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (1-cyclohexyloxypropan-2-ylideneamino)thiourea.

Molecular Properties

Compound Name(1-cyclohexyloxypropan-2-ylideneamino)thiourea
PubChem CID4651419
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(1-cyclohexyloxypropan-2-ylideneamino)thiourea
SMILESCC(COC1CCCCC1)=NNC(N)=S
InChIInChI=1S/C10H19N3OS/c1-8(12-13-10(11)15)7-14-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,11,13,15)
InChIKeyYBOTZIZGXVWOGS-UHFFFAOYSA-N
XLogP1.54
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyloxypropan-2-ylideneamino)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

[(Z)-(2-propyloxan-4-ylidene)amino]thiourea
CID 65211951
[(2-Ethyloxan-4-ylidene)amino]thiourea
CID 77059944
[(2-Methyloxan-4-ylidene)amino]thiourea
CID 77060061
[(2-Propyloxan-4-ylidene)amino]thiourea
CID 77060121
[(2,6-Dimethyloxan-4-ylidene)amino]thiourea
CID 81854151
[(4-Methoxycyclohexylidene)amino]thiourea
CID 104459437
[(2-Methoxycyclohexylidene)amino]thiourea
CID 106874575
[(3-Methoxycyclohexylidene)amino]thiourea
CID 106874576

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxypropan-2-ylideneamino)thiourea?
The IUPAC name of (1-cyclohexyloxypropan-2-ylideneamino)thiourea (CID 4651419) is (1-cyclohexyloxypropan-2-ylideneamino)thiourea.
What is the SMILES notation for (1-cyclohexyloxypropan-2-ylideneamino)thiourea?
The canonical SMILES for (1-cyclohexyloxypropan-2-ylideneamino)thiourea is CC(COC1CCCCC1)=NNC(N)=S.
What is the InChIKey of (1-cyclohexyloxypropan-2-ylideneamino)thiourea?
The InChIKey is YBOTZIZGXVWOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(12-13-10(11)15)7-14-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,11,13,15).
What are the key properties of (1-cyclohexyloxypropan-2-ylideneamino)thiourea?
(1-cyclohexyloxypropan-2-ylideneamino)thiourea has a molecular weight of 229.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyloxypropan-2-ylideneamino)thiourea is sourced from PubChem (CID 4651419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).