[ethylsulfonyl(methyl)sulfamoyl]carbamic acid

C4H10N2O6S2 — CID 19814661

IUPAC[ethylsulfonyl(methyl)sulfamoyl]carbamic acid
SMILESCCS(=O)(=O)N(C)S(=O)(=O)NC(=O)O
InChIInChI=1S/C4H10N2O6S2/c1-3-13(9,10)6(2)14(11,12)5-4(7)8/h5H,3H2,1-2H3,(H,7,8)
InChIKeyGRQBEBAUZLJGNA-UHFFFAOYSA-N
MW246.27 g/mol
LogP-1.22
Rot. Bonds4

About [ethylsulfonyl(methyl)sulfamoyl]carbamic acid

[ethylsulfonyl(methyl)sulfamoyl]carbamic acid (PubChem CID 19814661) has the molecular formula C4H10N2O6S2 and a molecular weight of 246.27 g/mol. Its IUPAC name is [ethylsulfonyl(methyl)sulfamoyl]carbamic acid.

Molecular Properties

Compound Name[ethylsulfonyl(methyl)sulfamoyl]carbamic acid
PubChem CID19814661
Molecular FormulaC4H10N2O6S2
Molecular Weight246.27 g/mol
Exact Mass246.00
IUPAC Name[ethylsulfonyl(methyl)sulfamoyl]carbamic acid
SMILESCCS(=O)(=O)N(C)S(=O)(=O)NC(=O)O
InChIInChI=1S/C4H10N2O6S2/c1-3-13(9,10)6(2)14(11,12)5-4(7)8/h5H,3H2,1-2H3,(H,7,8)
InChIKeyGRQBEBAUZLJGNA-UHFFFAOYSA-N
XLogP-1.22
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [ethylsulfonyl(methyl)sulfamoyl]carbamic acid?
The IUPAC name of [ethylsulfonyl(methyl)sulfamoyl]carbamic acid (CID 19814661) is [ethylsulfonyl(methyl)sulfamoyl]carbamic acid.
What is the SMILES notation for [ethylsulfonyl(methyl)sulfamoyl]carbamic acid?
The canonical SMILES for [ethylsulfonyl(methyl)sulfamoyl]carbamic acid is CCS(=O)(=O)N(C)S(=O)(=O)NC(=O)O.
What is the InChIKey of [ethylsulfonyl(methyl)sulfamoyl]carbamic acid?
The InChIKey is GRQBEBAUZLJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O6S2/c1-3-13(9,10)6(2)14(11,12)5-4(7)8/h5H,3H2,1-2H3,(H,7,8).
What are the key properties of [ethylsulfonyl(methyl)sulfamoyl]carbamic acid?
[ethylsulfonyl(methyl)sulfamoyl]carbamic acid has a molecular weight of 246.27 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ethylsulfonyl(methyl)sulfamoyl]carbamic acid is sourced from PubChem (CID 19814661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).