(3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea

C8H15N3OS — CID 10631917

IUPAC(3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea
SMILESCN(C)C(=S)/N=C/N1CCOCC1
InChIInChI=1S/C8H15N3OS/c1-10(2)8(13)9-7-11-3-5-12-6-4-11/h7H,3-6H2,1-2H3/b9-7+
InChIKeyUURJBDFUMRASNB-VQHVLOKHSA-N
MW201.29 g/mol
LogP0.19
Rot. Bonds1

About (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea

(3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea (PubChem CID 10631917) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea.

Molecular Properties

Compound Name(3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea
PubChem CID10631917
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name(3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea
SMILESCN(C)C(=S)/N=C/N1CCOCC1
InChIInChI=1S/C8H15N3OS/c1-10(2)8(13)9-7-11-3-5-12-6-4-11/h7H,3-6H2,1-2H3/b9-7+
InChIKeyUURJBDFUMRASNB-VQHVLOKHSA-N
XLogP0.19
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.19
H-Bond Donors ≤ 50
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 (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea?
The IUPAC name of (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea (CID 10631917) is (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea.
What is the SMILES notation for (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea?
The canonical SMILES for (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea is CN(C)C(=S)/N=C/N1CCOCC1.
What is the InChIKey of (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea?
The InChIKey is UURJBDFUMRASNB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-10(2)8(13)9-7-11-3-5-12-6-4-11/h7H,3-6H2,1-2H3/b9-7+.
What are the key properties of (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea?
(3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea has a molecular weight of 201.29 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1-dimethyl-3-(morpholin-4-ylmethylidene)thiourea is sourced from PubChem (CID 10631917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).