1-methoxy-3-(2-methylsulfanylcyclobutyl)urea

C7H14N2O2S — CID 130679326

IUPAC1-methoxy-3-(2-methylsulfanylcyclobutyl)urea
SMILESCONC(=O)NC1CCC1SC
InChIInChI=1S/C7H14N2O2S/c1-11-9-7(10)8-5-3-4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyFEHFBGPOHOSWPP-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.74
Rot. Bonds3

About 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea

1-methoxy-3-(2-methylsulfanylcyclobutyl)urea (PubChem CID 130679326) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea.

Molecular Properties

Compound Name1-methoxy-3-(2-methylsulfanylcyclobutyl)urea
PubChem CID130679326
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-methoxy-3-(2-methylsulfanylcyclobutyl)urea
SMILESCONC(=O)NC1CCC1SC
InChIInChI=1S/C7H14N2O2S/c1-11-9-7(10)8-5-3-4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyFEHFBGPOHOSWPP-UHFFFAOYSA-N
XLogP0.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea?
The IUPAC name of 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea (CID 130679326) is 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea.
What is the SMILES notation for 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea?
The canonical SMILES for 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea is CONC(=O)NC1CCC1SC.
What is the InChIKey of 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea?
The InChIKey is FEHFBGPOHOSWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-11-9-7(10)8-5-3-4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea?
1-methoxy-3-(2-methylsulfanylcyclobutyl)urea has a molecular weight of 190.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylsulfanylcyclobutyl)urea is sourced from PubChem (CID 130679326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).