methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate

C7H12N4O4S — CID 63977711

IUPACmethyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H12N4O4S/c1-11-4-9-6(8)7(11)16(13,14)10-3-5(12)15-2/h4,10H,3,8H2,1-2H3
InChIKeyZIKSPMWYBJIOBY-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.55
Rot. Bonds4

About methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate

methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate (PubChem CID 63977711) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate
PubChem CID63977711
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Namemethyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H12N4O4S/c1-11-4-9-6(8)7(11)16(13,14)10-3-5(12)15-2/h4,10H,3,8H2,1-2H3
InChIKeyZIKSPMWYBJIOBY-UHFFFAOYSA-N
XLogP-1.55
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate (CID 63977711) is methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate?
The InChIKey is ZIKSPMWYBJIOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c1-11-4-9-6(8)7(11)16(13,14)10-3-5(12)15-2/h4,10H,3,8H2,1-2H3.
What are the key properties of methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate?
methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate has a molecular weight of 248.26 g/mol, XLogP of -1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 63977711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).