methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate

C6H12N2O4S — CID 130470227

IUPACmethyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)N1C[C@H]1C
InChIInChI=1S/C6H12N2O4S/c1-5-4-8(5)13(10,11)7-3-6(9)12-2/h5,7H,3-4H2,1-2H3/t5-,8?/m1/s1
InChIKeyVUQOLDFGSPRIOD-RUQIKYNFSA-N
MW208.24 g/mol
LogP-1.30
Rot. Bonds4

About methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate

methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate (PubChem CID 130470227) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate
PubChem CID130470227
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Namemethyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)N1C[C@H]1C
InChIInChI=1S/C6H12N2O4S/c1-5-4-8(5)13(10,11)7-3-6(9)12-2/h5,7H,3-4H2,1-2H3/t5-,8?/m1/s1
InChIKeyVUQOLDFGSPRIOD-RUQIKYNFSA-N
XLogP-1.30
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
CID 174290633
methyl 2-(2-hydroxyethylsulfonylamino)acetate
CID 79588455
methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate
CID 139026402
5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 114816110
methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
CID 127581766
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate
CID 10016675

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate?
The IUPAC name of methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate (CID 130470227) is methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate?
The canonical SMILES for methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate is COC(=O)CNS(=O)(=O)N1C[C@H]1C.
What is the InChIKey of methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate?
The InChIKey is VUQOLDFGSPRIOD-RUQIKYNFSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-5-4-8(5)13(10,11)7-3-6(9)12-2/h5,7H,3-4H2,1-2H3/t5-,8?/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate?
methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate has a molecular weight of 208.24 g/mol, XLogP of -1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate is sourced from PubChem (CID 130470227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).