1-methyl-3-(methylsulfonylmethyl)urea

C4H10N2O3S — CID 168786695

IUPAC1-methyl-3-(methylsulfonylmethyl)urea
SMILESCNC(=O)NCS(C)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-5-4(7)6-3-10(2,8)9/h3H2,1-2H3,(H2,5,6,7)
InChIKeyVSWAUMPNSFVUGH-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.08
Rot. Bonds2

About 1-methyl-3-(methylsulfonylmethyl)urea

1-methyl-3-(methylsulfonylmethyl)urea (PubChem CID 168786695) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-methyl-3-(methylsulfonylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(methylsulfonylmethyl)urea
PubChem CID168786695
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name1-methyl-3-(methylsulfonylmethyl)urea
SMILESCNC(=O)NCS(C)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-5-4(7)6-3-10(2,8)9/h3H2,1-2H3,(H2,5,6,7)
InChIKeyVSWAUMPNSFVUGH-UHFFFAOYSA-N
XLogP-1.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylsulfonylmethyl)urea?
The IUPAC name of 1-methyl-3-(methylsulfonylmethyl)urea (CID 168786695) is 1-methyl-3-(methylsulfonylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(methylsulfonylmethyl)urea?
The canonical SMILES for 1-methyl-3-(methylsulfonylmethyl)urea is CNC(=O)NCS(C)(=O)=O.
What is the InChIKey of 1-methyl-3-(methylsulfonylmethyl)urea?
The InChIKey is VSWAUMPNSFVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-5-4(7)6-3-10(2,8)9/h3H2,1-2H3,(H2,5,6,7).
What are the key properties of 1-methyl-3-(methylsulfonylmethyl)urea?
1-methyl-3-(methylsulfonylmethyl)urea has a molecular weight of 166.20 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylsulfonylmethyl)urea is sourced from PubChem (CID 168786695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).