5-(aziridin-1-ylsulfonyl)pentanoic acid

C7H13NO4S — CID 130470335

IUPAC5-(aziridin-1-ylsulfonyl)pentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)N1CC1
InChIInChI=1S/C7H13NO4S/c9-7(10)3-1-2-6-13(11,12)8-4-5-8/h1-6H2,(H,9,10)
InChIKeyONTSCUFPZFBPMT-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds6

About 5-(aziridin-1-ylsulfonyl)pentanoic acid

5-(aziridin-1-ylsulfonyl)pentanoic acid (PubChem CID 130470335) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-(aziridin-1-ylsulfonyl)pentanoic acid.

Molecular Properties

Compound Name5-(aziridin-1-ylsulfonyl)pentanoic acid
PubChem CID130470335
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name5-(aziridin-1-ylsulfonyl)pentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)N1CC1
InChIInChI=1S/C7H13NO4S/c9-7(10)3-1-2-6-13(11,12)8-4-5-8/h1-6H2,(H,9,10)
InChIKeyONTSCUFPZFBPMT-UHFFFAOYSA-N
XLogP-0.11
TPSA74.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Aziridin-1-ylsulfonyl)propanoic acid
CID 130470203
4-(Aziridin-1-ylsulfonyl)butanoic acid
CID 130470212
Methyl 5-(aziridin-1-ylsulfonyl)pentanoate
CID 156413760
5-(Dimethylsulfamoyl)pentanoic acid
CID 28704891
4-[Ethyl(methyl)sulfamoyl]butanoic acid
CID 43263314

Frequently Asked Questions

What is the IUPAC name of 5-(aziridin-1-ylsulfonyl)pentanoic acid?
The IUPAC name of 5-(aziridin-1-ylsulfonyl)pentanoic acid (CID 130470335) is 5-(aziridin-1-ylsulfonyl)pentanoic acid.
What is the SMILES notation for 5-(aziridin-1-ylsulfonyl)pentanoic acid?
The canonical SMILES for 5-(aziridin-1-ylsulfonyl)pentanoic acid is O=C(O)CCCCS(=O)(=O)N1CC1.
What is the InChIKey of 5-(aziridin-1-ylsulfonyl)pentanoic acid?
The InChIKey is ONTSCUFPZFBPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c9-7(10)3-1-2-6-13(11,12)8-4-5-8/h1-6H2,(H,9,10).
What are the key properties of 5-(aziridin-1-ylsulfonyl)pentanoic acid?
5-(aziridin-1-ylsulfonyl)pentanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aziridin-1-ylsulfonyl)pentanoic acid is sourced from PubChem (CID 130470335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).