1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea

C10H19N3OS — CID 5369282

IUPAC1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCN1CCOCC1
InChIInChI=1S/C10H19N3OS/c1-2-3-11-10(15)12-4-5-13-6-8-14-9-7-13/h2H,1,3-9H2,(H2,11,12,15)
InChIKeyOPTKHOXOBSHYGS-UHFFFAOYSA-N
MW229.35 g/mol
LogP-0.03
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea

1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea (PubChem CID 5369282) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea
PubChem CID5369282
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCN1CCOCC1
InChIInChI=1S/C10H19N3OS/c1-2-3-11-10(15)12-4-5-13-6-8-14-9-7-13/h2H,1,3-9H2,(H2,11,12,15)
InChIKeyOPTKHOXOBSHYGS-UHFFFAOYSA-N
XLogP-0.03
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 5-0.03
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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Related Compounds

CID 1896320
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CID 2168458
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CID 15113027
CID 15113027
CID 17276173
CID 17276173
CID 67626200
CID 67626200
CID 87847320
CID 87847320
CID 173172476
CID 173172476
CID 173375681
CID 173375681
CID 3557639
CID 3557639
CID 7036750
CID 7036750
CID 16554080
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CID 17168614
CID 17168614

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea (CID 5369282) is 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea is C=CCNC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea?
The InChIKey is OPTKHOXOBSHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-2-3-11-10(15)12-4-5-13-6-8-14-9-7-13/h2H,1,3-9H2,(H2,11,12,15).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea?
1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea has a molecular weight of 229.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-prop-2-enylthiourea is sourced from PubChem (CID 5369282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).