1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

C14H20N4O4S — CID 53498070

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N4O4S/c19-14(17-12-3-8-23(20,21)10-12)16-11-1-2-13(15-9-11)18-4-6-22-7-5-18/h1-2,9,12H,3-8,10H2,(H2,16,17,19)
InChIKeyIFGJIKNLCJGPPQ-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.23
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 53498070) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID53498070
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N4O4S/c19-14(17-12-3-8-23(20,21)10-12)16-11-1-2-13(15-9-11)18-4-6-22-7-5-18/h1-2,9,12H,3-8,10H2,(H2,16,17,19)
InChIKeyIFGJIKNLCJGPPQ-UHFFFAOYSA-N
XLogP0.23
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 53498070) is 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is O=C(Nc1ccc(N2CCOCC2)nc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is IFGJIKNLCJGPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c19-14(17-12-3-8-23(20,21)10-12)16-11-1-2-13(15-9-11)18-4-6-22-7-5-18/h1-2,9,12H,3-8,10H2,(H2,16,17,19).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 340.41 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 53498070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).