1-methyl-3-methylsulfonyl-1-sulfamoylurea

C3H9N3O5S2 — CID 91357985

IUPAC1-methyl-3-methylsulfonyl-1-sulfamoylurea
SMILESCN(C(=O)NS(C)(=O)=O)S(N)(=O)=O
InChIInChI=1S/C3H9N3O5S2/c1-6(13(4,10)11)3(7)5-12(2,8)9/h1-2H3,(H,5,7)(H2,4,10,11)
InChIKeyIUZAFLRGLJBWGQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-2.21
Rot. Bonds2

About 1-methyl-3-methylsulfonyl-1-sulfamoylurea

1-methyl-3-methylsulfonyl-1-sulfamoylurea (PubChem CID 91357985) has the molecular formula C3H9N3O5S2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-methyl-3-methylsulfonyl-1-sulfamoylurea.

Molecular Properties

Compound Name1-methyl-3-methylsulfonyl-1-sulfamoylurea
PubChem CID91357985
Molecular FormulaC3H9N3O5S2
Molecular Weight231.25 g/mol
Exact Mass231.00
IUPAC Name1-methyl-3-methylsulfonyl-1-sulfamoylurea
SMILESCN(C(=O)NS(C)(=O)=O)S(N)(=O)=O
InChIInChI=1S/C3H9N3O5S2/c1-6(13(4,10)11)3(7)5-12(2,8)9/h1-2H3,(H,5,7)(H2,4,10,11)
InChIKeyIUZAFLRGLJBWGQ-UHFFFAOYSA-N
XLogP-2.21
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-methyl-N-sulfamoylcarbamate
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N-(fluorosulfonylcarbamoyl)-N-methylsulfamoyl fluoride
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N-methyl-N-(methylsulfonylcarbamoylamino)formamide
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1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
3-amino-N-methylsulfonylpropanamide
CID 14028235
[methyl(sulfamoyl)amino]methane;hydrochloride
CID 18615116
methanesulfonamide;propan-2-one
CID 158339378
N-(1-aminoethenyl)-N-methylmethanesulfonamide
CID 90378442
1-methylsulfonyl-3-sulfanylurea
CID 149493043
2-[(1Z)-1-(dimethylamino)-3-fluorobuta-1,3-dienyl]-N-methylsulfonylcyclopropane-1-carboxamide
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3-amino-2-hydroxy-N-methylsulfonylpropanamide
CID 166957564

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfonyl-1-sulfamoylurea?
The IUPAC name of 1-methyl-3-methylsulfonyl-1-sulfamoylurea (CID 91357985) is 1-methyl-3-methylsulfonyl-1-sulfamoylurea.
What is the SMILES notation for 1-methyl-3-methylsulfonyl-1-sulfamoylurea?
The canonical SMILES for 1-methyl-3-methylsulfonyl-1-sulfamoylurea is CN(C(=O)NS(C)(=O)=O)S(N)(=O)=O.
What is the InChIKey of 1-methyl-3-methylsulfonyl-1-sulfamoylurea?
The InChIKey is IUZAFLRGLJBWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O5S2/c1-6(13(4,10)11)3(7)5-12(2,8)9/h1-2H3,(H,5,7)(H2,4,10,11).
What are the key properties of 1-methyl-3-methylsulfonyl-1-sulfamoylurea?
1-methyl-3-methylsulfonyl-1-sulfamoylurea has a molecular weight of 231.25 g/mol, XLogP of -2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfonyl-1-sulfamoylurea is sourced from PubChem (CID 91357985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).