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

C11H20N4O2S — CID 3132890

IUPAC1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C11H20N4O2S/c1-2-4-12-11(18)14-13-10(16)3-5-15-6-8-17-9-7-15/h2H,1,3-9H2,(H,13,16)(H2,12,14,18)
InChIKeyQZKORPOAGPXXPQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.61
Rot. Bonds5

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

1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea (PubChem CID 3132890) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea
PubChem CID3132890
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C11H20N4O2S/c1-2-4-12-11(18)14-13-10(16)3-5-15-6-8-17-9-7-15/h2H,1,3-9H2,(H,13,16)(H2,12,14,18)
InChIKeyQZKORPOAGPXXPQ-UHFFFAOYSA-N
XLogP-0.61
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
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1-(octadecanoylamino)-3-prop-2-enylthiourea
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N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea
CID 5192856
2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea
CID 18968658
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
5-morpholin-4-ylpentanehydrazide
CID 63570305

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea?
The IUPAC name of 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea (CID 3132890) is 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea is C=CCNC(=S)NNC(=O)CCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea?
The InChIKey is QZKORPOAGPXXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-4-12-11(18)14-13-10(16)3-5-15-6-8-17-9-7-15/h2H,1,3-9H2,(H,13,16)(H2,12,14,18).
What are the key properties of 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea?
1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea has a molecular weight of 272.37 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropanoylamino)-3-prop-2-enylthiourea is sourced from PubChem (CID 3132890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).