sulfamoylcarbamic acid;hydrate

CH6N2O5S — CID 173387994

IUPACsulfamoylcarbamic acid;hydrate
SMILESNS(=O)(=O)NC(=O)O.O
InChIInChI=1S/CH4N2O4S.H2O/c2-8(6,7)3-1(4)5;/h3H,(H,4,5)(H2,2,6,7);1H2
InChIKeyGRUFYGXTEUOUEI-UHFFFAOYSA-N
MW158.13 g/mol
LogP-2.37
Rot. Bonds1

About sulfamoylcarbamic acid;hydrate

sulfamoylcarbamic acid;hydrate (PubChem CID 173387994) has the molecular formula CH6N2O5S and a molecular weight of 158.13 g/mol. Its IUPAC name is sulfamoylcarbamic acid;hydrate.

Molecular Properties

Compound Namesulfamoylcarbamic acid;hydrate
PubChem CID173387994
Molecular FormulaCH6N2O5S
Molecular Weight158.13 g/mol
Exact Mass158.00
IUPAC Namesulfamoylcarbamic acid;hydrate
SMILESNS(=O)(=O)NC(=O)O.O
InChIInChI=1S/CH4N2O4S.H2O/c2-8(6,7)3-1(4)5;/h3H,(H,4,5)(H2,2,6,7);1H2
InChIKeyGRUFYGXTEUOUEI-UHFFFAOYSA-N
XLogP-2.37
TPSA140.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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hydroxylamine;sulfamide
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strontium;hydride;sulfamic acid;hydrate
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CID 154092709
CID 154092709
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Frequently Asked Questions

What is the IUPAC name of sulfamoylcarbamic acid;hydrate?
The IUPAC name of sulfamoylcarbamic acid;hydrate (CID 173387994) is sulfamoylcarbamic acid;hydrate.
What is the SMILES notation for sulfamoylcarbamic acid;hydrate?
The canonical SMILES for sulfamoylcarbamic acid;hydrate is NS(=O)(=O)NC(=O)O.O.
What is the InChIKey of sulfamoylcarbamic acid;hydrate?
The InChIKey is GRUFYGXTEUOUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O4S.H2O/c2-8(6,7)3-1(4)5;/h3H,(H,4,5)(H2,2,6,7);1H2.
What are the key properties of sulfamoylcarbamic acid;hydrate?
sulfamoylcarbamic acid;hydrate has a molecular weight of 158.13 g/mol, XLogP of -2.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoylcarbamic acid;hydrate is sourced from PubChem (CID 173387994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).