ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate

C10H19N3O3S — CID 3579207

IUPACethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate
SMILESCCOC(=O)NC(=S)NCCN1CCOCC1
InChIInChI=1S/C10H19N3O3S/c1-2-16-10(14)12-9(17)11-3-4-13-5-7-15-8-6-13/h2-8H2,1H3,(H2,11,12,14,17)
InChIKeyCUPNKTRFQULWJC-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.06
Rot. Bonds4

About ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate

ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate (PubChem CID 3579207) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate
PubChem CID3579207
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Nameethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate
SMILESCCOC(=O)NC(=S)NCCN1CCOCC1
InChIInChI=1S/C10H19N3O3S/c1-2-16-10(14)12-9(17)11-3-4-13-5-7-15-8-6-13/h2-8H2,1H3,(H2,11,12,14,17)
InChIKeyCUPNKTRFQULWJC-UHFFFAOYSA-N
XLogP-0.06
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate?
The IUPAC name of ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate (CID 3579207) is ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate.
What is the SMILES notation for ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate?
The canonical SMILES for ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate is CCOC(=O)NC(=S)NCCN1CCOCC1.
What is the InChIKey of ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate?
The InChIKey is CUPNKTRFQULWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-2-16-10(14)12-9(17)11-3-4-13-5-7-15-8-6-13/h2-8H2,1H3,(H2,11,12,14,17).
What are the key properties of ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate?
ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate has a molecular weight of 261.35 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate is sourced from PubChem (CID 3579207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).