1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea

C9H18N4OS — CID 2728808

IUPAC1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea
SMILESCCCNC(=S)N=C(N)N1CCOCC1
InChIInChI=1S/C9H18N4OS/c1-2-3-11-9(15)12-8(10)13-4-6-14-7-5-13/h2-7H2,1H3,(H3,10,11,12,15)
InChIKeyOMJYISDGOAYSKO-UHFFFAOYSA-N
MW230.34 g/mol
LogP-0.08
Rot. Bonds2

About 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea

1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea (PubChem CID 2728808) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea.

Molecular Properties

Compound Name1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea
PubChem CID2728808
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea
SMILESCCCNC(=S)N=C(N)N1CCOCC1
InChIInChI=1S/C9H18N4OS/c1-2-3-11-9(15)12-8(10)13-4-6-14-7-5-13/h2-7H2,1H3,(H3,10,11,12,15)
InChIKeyOMJYISDGOAYSKO-UHFFFAOYSA-N
XLogP-0.08
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea?
The IUPAC name of 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea (CID 2728808) is 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea.
What is the SMILES notation for 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea?
The canonical SMILES for 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea is CCCNC(=S)N=C(N)N1CCOCC1.
What is the InChIKey of 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea?
The InChIKey is OMJYISDGOAYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-2-3-11-9(15)12-8(10)13-4-6-14-7-5-13/h2-7H2,1H3,(H3,10,11,12,15).
What are the key properties of 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea?
1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea has a molecular weight of 230.34 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea is sourced from PubChem (CID 2728808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).