2-(cyclopropylsulfamoyl)acetic acid

C5H9NO4S — CID 28773438

IUPAC2-(cyclopropylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CC1
InChIInChI=1S/C5H9NO4S/c7-5(8)3-11(9,10)6-4-1-2-4/h4,6H,1-3H2,(H,7,8)
InChIKeyZGDOSUNMVQVTBL-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.85
Rot. Bonds4

About 2-(cyclopropylsulfamoyl)acetic acid

2-(cyclopropylsulfamoyl)acetic acid (PubChem CID 28773438) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfamoyl)acetic acid
PubChem CID28773438
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2-(cyclopropylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CC1
InChIInChI=1S/C5H9NO4S/c7-5(8)3-11(9,10)6-4-1-2-4/h4,6H,1-3H2,(H,7,8)
InChIKeyZGDOSUNMVQVTBL-UHFFFAOYSA-N
XLogP-0.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoyl)acetic acid?
The IUPAC name of 2-(cyclopropylsulfamoyl)acetic acid (CID 28773438) is 2-(cyclopropylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(cyclopropylsulfamoyl)acetic acid?
The canonical SMILES for 2-(cyclopropylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoyl)acetic acid?
The InChIKey is ZGDOSUNMVQVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c7-5(8)3-11(9,10)6-4-1-2-4/h4,6H,1-3H2,(H,7,8).
What are the key properties of 2-(cyclopropylsulfamoyl)acetic acid?
2-(cyclopropylsulfamoyl)acetic acid has a molecular weight of 179.20 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoyl)acetic acid is sourced from PubChem (CID 28773438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).