2-(dimethylaminooxysulfonyl)acetic acid

C4H9NO5S — CID 90794070

IUPAC2-(dimethylaminooxysulfonyl)acetic acid
SMILESCN(C)OS(=O)(=O)CC(=O)O
InChIInChI=1S/C4H9NO5S/c1-5(2)10-11(8,9)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyLNMKXYCUQFPNAF-UHFFFAOYSA-N
MW183.18 g/mol
LogP-1.11
Rot. Bonds4

About 2-(dimethylaminooxysulfonyl)acetic acid

2-(dimethylaminooxysulfonyl)acetic acid (PubChem CID 90794070) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-(dimethylaminooxysulfonyl)acetic acid.

Molecular Properties

Compound Name2-(dimethylaminooxysulfonyl)acetic acid
PubChem CID90794070
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Name2-(dimethylaminooxysulfonyl)acetic acid
SMILESCN(C)OS(=O)(=O)CC(=O)O
InChIInChI=1S/C4H9NO5S/c1-5(2)10-11(8,9)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyLNMKXYCUQFPNAF-UHFFFAOYSA-N
XLogP-1.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminooxysulfonyl)acetic acid?
The IUPAC name of 2-(dimethylaminooxysulfonyl)acetic acid (CID 90794070) is 2-(dimethylaminooxysulfonyl)acetic acid.
What is the SMILES notation for 2-(dimethylaminooxysulfonyl)acetic acid?
The canonical SMILES for 2-(dimethylaminooxysulfonyl)acetic acid is CN(C)OS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(dimethylaminooxysulfonyl)acetic acid?
The InChIKey is LNMKXYCUQFPNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S/c1-5(2)10-11(8,9)3-4(6)7/h3H2,1-2H3,(H,6,7).
What are the key properties of 2-(dimethylaminooxysulfonyl)acetic acid?
2-(dimethylaminooxysulfonyl)acetic acid has a molecular weight of 183.18 g/mol, XLogP of -1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminooxysulfonyl)acetic acid is sourced from PubChem (CID 90794070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).