2-(aziridin-1-ylsulfonyl)acetic acid

C4H7NO4S — CID 130470209

IUPAC2-(aziridin-1-ylsulfonyl)acetic acid
SMILESO=C(O)CS(=O)(=O)N1CC1
InChIInChI=1S/C4H7NO4S/c6-4(7)3-10(8,9)5-1-2-5/h1-3H2,(H,6,7)
InChIKeyHGNUEOJLJZGMSC-UHFFFAOYSA-N
MW165.17 g/mol
LogP-1.28
Rot. Bonds3

About 2-(aziridin-1-ylsulfonyl)acetic acid

2-(aziridin-1-ylsulfonyl)acetic acid (PubChem CID 130470209) has the molecular formula C4H7NO4S and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(aziridin-1-ylsulfonyl)acetic acid.

Molecular Properties

Compound Name2-(aziridin-1-ylsulfonyl)acetic acid
PubChem CID130470209
Molecular FormulaC4H7NO4S
Molecular Weight165.17 g/mol
Exact Mass165.01
IUPAC Name2-(aziridin-1-ylsulfonyl)acetic acid
SMILESO=C(O)CS(=O)(=O)N1CC1
InChIInChI=1S/C4H7NO4S/c6-4(7)3-10(8,9)5-1-2-5/h1-3H2,(H,6,7)
InChIKeyHGNUEOJLJZGMSC-UHFFFAOYSA-N
XLogP-1.28
TPSA74.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(Diethylsulfamoyl)acetic acid
CID 28773414
3-(Aziridin-1-ylsulfonyl)propanoic acid
CID 130470203
4-(Aziridin-1-ylsulfonyl)butanoic acid
CID 130470212
2-[Ethyl(methyl)sulfamoyl]acetic acid
CID 43263285

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-ylsulfonyl)acetic acid?
The IUPAC name of 2-(aziridin-1-ylsulfonyl)acetic acid (CID 130470209) is 2-(aziridin-1-ylsulfonyl)acetic acid.
What is the SMILES notation for 2-(aziridin-1-ylsulfonyl)acetic acid?
The canonical SMILES for 2-(aziridin-1-ylsulfonyl)acetic acid is O=C(O)CS(=O)(=O)N1CC1.
What is the InChIKey of 2-(aziridin-1-ylsulfonyl)acetic acid?
The InChIKey is HGNUEOJLJZGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S/c6-4(7)3-10(8,9)5-1-2-5/h1-3H2,(H,6,7).
What are the key properties of 2-(aziridin-1-ylsulfonyl)acetic acid?
2-(aziridin-1-ylsulfonyl)acetic acid has a molecular weight of 165.17 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-ylsulfonyl)acetic acid is sourced from PubChem (CID 130470209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).