2-(methanesulfonamidooxy)acetic acid

C3H7NO5S — CID 60661264

IUPAC2-(methanesulfonamidooxy)acetic acid
SMILESCS(=O)(=O)NOCC(=O)O
InChIInChI=1S/C3H7NO5S/c1-10(7,8)4-9-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyRPGKDGFTPRZOLZ-UHFFFAOYSA-N
MW169.16 g/mol
LogP-1.45
Rot. Bonds4

About 2-(methanesulfonamidooxy)acetic acid

2-(methanesulfonamidooxy)acetic acid (PubChem CID 60661264) has the molecular formula C3H7NO5S and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-(methanesulfonamidooxy)acetic acid.

Molecular Properties

Compound Name2-(methanesulfonamidooxy)acetic acid
PubChem CID60661264
Molecular FormulaC3H7NO5S
Molecular Weight169.16 g/mol
Exact Mass169.00
IUPAC Name2-(methanesulfonamidooxy)acetic acid
SMILESCS(=O)(=O)NOCC(=O)O
InChIInChI=1S/C3H7NO5S/c1-10(7,8)4-9-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyRPGKDGFTPRZOLZ-UHFFFAOYSA-N
XLogP-1.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-2-enylsulfonylamino)oxyacetic acid
CID 79673684
2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid
CID 87407867
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
2-(ethoxycarbonylamino)oxyacetic acid
CID 60661243
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid
CID 91667036
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
methanesulfonamido butanoate
CID 91249572
2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
CID 61062135
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
CID 60661310

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamidooxy)acetic acid?
The IUPAC name of 2-(methanesulfonamidooxy)acetic acid (CID 60661264) is 2-(methanesulfonamidooxy)acetic acid.
What is the SMILES notation for 2-(methanesulfonamidooxy)acetic acid?
The canonical SMILES for 2-(methanesulfonamidooxy)acetic acid is CS(=O)(=O)NOCC(=O)O.
What is the InChIKey of 2-(methanesulfonamidooxy)acetic acid?
The InChIKey is RPGKDGFTPRZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5S/c1-10(7,8)4-9-2-3(5)6/h4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methanesulfonamidooxy)acetic acid?
2-(methanesulfonamidooxy)acetic acid has a molecular weight of 169.16 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamidooxy)acetic acid is sourced from PubChem (CID 60661264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).