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

C5H12N2O3S — CID 131206804

IUPAC1-methoxy-3-(2-methylsulfinylethyl)urea
SMILESCONC(=O)NCCS(C)=O
InChIInChI=1S/C5H12N2O3S/c1-10-7-5(8)6-3-4-11(2)9/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyGEITYOXLXQIDFT-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.77
Rot. Bonds4

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

1-methoxy-3-(2-methylsulfinylethyl)urea (PubChem CID 131206804) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylsulfinylethyl)urea.

Molecular Properties

Compound Name1-methoxy-3-(2-methylsulfinylethyl)urea
PubChem CID131206804
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name1-methoxy-3-(2-methylsulfinylethyl)urea
SMILESCONC(=O)NCCS(C)=O
InChIInChI=1S/C5H12N2O3S/c1-10-7-5(8)6-3-4-11(2)9/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyGEITYOXLXQIDFT-UHFFFAOYSA-N
XLogP-0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.77
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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Related Compounds

2-methoxy-3-(2-methylsulfinylethylcarbamoylamino)propanoic acid
CID 106110510
1-(2-cyanoethyl)-3-methoxyurea
CID 130650869
1-(2-cyclopropylethyl)-3-methoxyurea
CID 131224486
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfinylethyl)urea
CID 113480473
4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
CID 115739206
4-(2-methylsulfinylethylcarbamoylamino)benzoic acid
CID 113480280
1-(2-hydroxy-2-methylpropyl)-3-methoxyurea
CID 130650231
tert-butyl N-[3-(2-methylsulfinylethylamino)propyl]carbamate
CID 115747869
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
tert-butyl N-(4-methylsulfinylbutyl)carbamate
CID 176958656
1-[(2S)-2-hydroxybutyl]-3-methoxyurea
CID 131222711
2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739196

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylsulfinylethyl)urea?
The IUPAC name of 1-methoxy-3-(2-methylsulfinylethyl)urea (CID 131206804) is 1-methoxy-3-(2-methylsulfinylethyl)urea.
What is the SMILES notation for 1-methoxy-3-(2-methylsulfinylethyl)urea?
The canonical SMILES for 1-methoxy-3-(2-methylsulfinylethyl)urea is CONC(=O)NCCS(C)=O.
What is the InChIKey of 1-methoxy-3-(2-methylsulfinylethyl)urea?
The InChIKey is GEITYOXLXQIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-10-7-5(8)6-3-4-11(2)9/h3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 1-methoxy-3-(2-methylsulfinylethyl)urea?
1-methoxy-3-(2-methylsulfinylethyl)urea has a molecular weight of 180.23 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylsulfinylethyl)urea is sourced from PubChem (CID 131206804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).