2-(propan-2-ylsulfamoyloxy)acetic acid

C5H11NO5S — CID 19834552

IUPAC2-(propan-2-ylsulfamoyloxy)acetic acid
SMILESCC(C)NS(=O)(=O)OCC(=O)O
InChIInChI=1S/C5H11NO5S/c1-4(2)6-12(9,10)11-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyPUGCIHXATHJASS-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.67
Rot. Bonds5

About 2-(propan-2-ylsulfamoyloxy)acetic acid

2-(propan-2-ylsulfamoyloxy)acetic acid (PubChem CID 19834552) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(propan-2-ylsulfamoyloxy)acetic acid.

Molecular Properties

Compound Name2-(propan-2-ylsulfamoyloxy)acetic acid
PubChem CID19834552
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Name2-(propan-2-ylsulfamoyloxy)acetic acid
SMILESCC(C)NS(=O)(=O)OCC(=O)O
InChIInChI=1S/C5H11NO5S/c1-4(2)6-12(9,10)11-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyPUGCIHXATHJASS-UHFFFAOYSA-N
XLogP-0.67
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Oxalic acid;propan-2-amine
CID 117833782
2-Hydroxyacetate;propan-2-ylazanium
CID 139301574
Propan-2-ylsulfamoyl 2-hydroxyacetate
CID 145793368
Ethylsulfamoyl 2-hydroxyacetate
CID 145793738
Propylsulfamoyl 2-hydroxyacetate
CID 145793739
2-Hydroxyacetic acid;propan-2-amine
CID 173812669
CID 174800954
CID 174800954
2-(Propylsulfamoyloxy)acetic acid
CID 21328583
2-(Ethylsulfamoyloxy)acetic acid
CID 21328584
2-(Propylsulfamoylamino)oxyacetic acid
CID 114806215
2-(Cyclopropylsulfamoylamino)oxyacetic acid
CID 114806218
2-(Propan-2-ylsulfamoylamino)oxyacetic acid
CID 114806219

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfamoyloxy)acetic acid?
The IUPAC name of 2-(propan-2-ylsulfamoyloxy)acetic acid (CID 19834552) is 2-(propan-2-ylsulfamoyloxy)acetic acid.
What is the SMILES notation for 2-(propan-2-ylsulfamoyloxy)acetic acid?
The canonical SMILES for 2-(propan-2-ylsulfamoyloxy)acetic acid is CC(C)NS(=O)(=O)OCC(=O)O.
What is the InChIKey of 2-(propan-2-ylsulfamoyloxy)acetic acid?
The InChIKey is PUGCIHXATHJASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S/c1-4(2)6-12(9,10)11-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-(propan-2-ylsulfamoyloxy)acetic acid?
2-(propan-2-ylsulfamoyloxy)acetic acid has a molecular weight of 197.21 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfamoyloxy)acetic acid is sourced from PubChem (CID 19834552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).