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

C20H31N3OS — CID 4018268

IUPAC1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
SMILESCC(NC(=S)NC1CCCCC1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H31N3OS/c1-16(21-20(25)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-24-15-13-23/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H2,21,22,25)
InChIKeyFAUWWTDVZLACIY-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.25
Rot. Bonds5

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

1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea (PubChem CID 4018268) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
PubChem CID4018268
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
SMILESCC(NC(=S)NC1CCCCC1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H31N3OS/c1-16(21-20(25)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-24-15-13-23/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H2,21,22,25)
InChIKeyFAUWWTDVZLACIY-UHFFFAOYSA-N
XLogP3.25
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea (CID 4018268) is 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea is CC(NC(=S)NC1CCCCC1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
The InChIKey is FAUWWTDVZLACIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-16(21-20(25)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-24-15-13-23/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
1-cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea has a molecular weight of 361.56 g/mol, XLogP of 3.25, 5 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-yl-1-phenylpropan-2-yl)thiourea is sourced from PubChem (CID 4018268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).