1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea

C13H25N3OS — CID 16554080

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25N3OS/c1-11(2)9-14-12(18)15-10-13(3,4)16-5-7-17-8-6-16/h1,5-10H2,2-4H3,(H2,14,15,18)
InChIKeyPLNVEFVXTCZLKH-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.14
Rot. Bonds5

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea (PubChem CID 16554080) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea
PubChem CID16554080
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25N3OS/c1-11(2)9-14-12(18)15-10-13(3,4)16-5-7-17-8-6-16/h1,5-10H2,2-4H3,(H2,14,15,18)
InChIKeyPLNVEFVXTCZLKH-UHFFFAOYSA-N
XLogP1.14
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea (CID 16554080) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is PLNVEFVXTCZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-11(2)9-14-12(18)15-10-13(3,4)16-5-7-17-8-6-16/h1,5-10H2,2-4H3,(H2,14,15,18).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 271.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 16554080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).