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

C12H23N3OS — CID 88641236

IUPAC1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)=CNC(=S)NCCCN1CCOCC1
InChIInChI=1S/C12H23N3OS/c1-11(2)10-14-12(17)13-4-3-5-15-6-8-16-9-7-15/h10H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyYHYIXOZHDWNXDP-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.10
Rot. Bonds5

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

1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 88641236) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID88641236
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)=CNC(=S)NCCCN1CCOCC1
InChIInChI=1S/C12H23N3OS/c1-11(2)10-14-12(17)13-4-3-5-15-6-8-16-9-7-15/h10H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyYHYIXOZHDWNXDP-UHFFFAOYSA-N
XLogP1.10
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 88641236) is 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea is CC(C)=CNC(=S)NCCCN1CCOCC1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is YHYIXOZHDWNXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-11(2)10-14-12(17)13-4-3-5-15-6-8-16-9-7-15/h10H,3-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 257.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 88641236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).