methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate

C5H13N3O3S — CID 139026402

IUPACmethyl 2-[(dimethylaminosulfonimidoyl)amino]acetate
SMILES[H]N=S(=O)(NCC(=O)OC)N(C)C
InChIInChI=1S/C5H13N3O3S/c1-8(2)12(6,10)7-4-5(9)11-3/h4H2,1-3H3,(H2,6,7,10)
InChIKeyAZEQJUUCHHNQBQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.81
Rot. Bonds4

About methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate

methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate (PubChem CID 139026402) has the molecular formula C5H13N3O3S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(dimethylaminosulfonimidoyl)amino]acetate
PubChem CID139026402
Molecular FormulaC5H13N3O3S
Molecular Weight195.24 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-[(dimethylaminosulfonimidoyl)amino]acetate
SMILES[H]N=S(=O)(NCC(=O)OC)N(C)C
InChIInChI=1S/C5H13N3O3S/c1-8(2)12(6,10)7-4-5(9)11-3/h4H2,1-3H3,(H2,6,7,10)
InChIKeyAZEQJUUCHHNQBQ-UHFFFAOYSA-N
XLogP-0.81
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate?
The IUPAC name of methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate (CID 139026402) is methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate?
The canonical SMILES for methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate is [H]N=S(=O)(NCC(=O)OC)N(C)C.
What is the InChIKey of methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate?
The InChIKey is AZEQJUUCHHNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O3S/c1-8(2)12(6,10)7-4-5(9)11-3/h4H2,1-3H3,(H2,6,7,10).
What are the key properties of methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate?
methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate has a molecular weight of 195.24 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate is sourced from PubChem (CID 139026402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).