1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea

C14H27N3OS — CID 115583267

IUPAC1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea
SMILESCC(CN1CCOCC1)NC(=S)NC1CCCCC1
InChIInChI=1S/C14H27N3OS/c1-12(11-17-7-9-18-10-8-17)15-14(19)16-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,15,16,19)
InChIKeyKFPQEQWANFIMMP-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.50
Rot. Bonds4

About 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea

1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea (PubChem CID 115583267) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea
PubChem CID115583267
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea
SMILESCC(CN1CCOCC1)NC(=S)NC1CCCCC1
InChIInChI=1S/C14H27N3OS/c1-12(11-17-7-9-18-10-8-17)15-14(19)16-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,15,16,19)
InChIKeyKFPQEQWANFIMMP-UHFFFAOYSA-N
XLogP1.50
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)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

1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
N-(1-cyclohexylethyl)-1-morpholin-4-ylpropan-2-amine
CID 43779482
1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
CID 128943207
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 104859022
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentanamine
CID 115641946
N-cyclopropyl-2-(1-morpholin-4-ylpropan-2-ylamino)propanamide
CID 54965360
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187
1-(2-methylpropyl)-3-(1-piperidin-1-ylpropan-2-yl)thiourea
CID 115583318
1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-yl)thiourea
CID 115590193
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea (CID 115583267) is 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea is CC(CN1CCOCC1)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea?
The InChIKey is KFPQEQWANFIMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-12(11-17-7-9-18-10-8-17)15-14(19)16-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,15,16,19).
What are the key properties of 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea?
1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea has a molecular weight of 285.46 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea is sourced from PubChem (CID 115583267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).