N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate

C10H20NO8S2- — CID 59283234

IUPACN-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESCC(C)(C)O/C([O-])=N/C(COS(C)(=O)=O)COS(C)(=O)=O
InChIInChI=1S/C10H21NO8S2/c1-10(2,3)19-9(12)11-8(6-17-20(4,13)14)7-18-21(5,15)16/h8H,6-7H2,1-5H3,(H,11,12)/p-1
InChIKeyOQZLCYFJSRPMBB-UHFFFAOYSA-M
MW346.40 g/mol
LogP-1.16
Rot. Bonds7

About N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate

N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate (PubChem CID 59283234) has the molecular formula C10H20NO8S2- and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate.

Molecular Properties

Compound NameN-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
PubChem CID59283234
Molecular FormulaC10H20NO8S2-
Molecular Weight346.40 g/mol
Exact Mass346.06
IUPAC NameN-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESCC(C)(C)O/C([O-])=N/C(COS(C)(=O)=O)COS(C)(=O)=O
InChIInChI=1S/C10H21NO8S2/c1-10(2,3)19-9(12)11-8(6-17-20(4,13)14)7-18-21(5,15)16/h8H,6-7H2,1-5H3,(H,11,12)/p-1
InChIKeyOQZLCYFJSRPMBB-UHFFFAOYSA-M
XLogP-1.16
TPSA131.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The IUPAC name of N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate (CID 59283234) is N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate.
What is the SMILES notation for N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The canonical SMILES for N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate is CC(C)(C)O/C([O-])=N/C(COS(C)(=O)=O)COS(C)(=O)=O.
What is the InChIKey of N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The InChIKey is OQZLCYFJSRPMBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21NO8S2/c1-10(2,3)19-9(12)11-8(6-17-20(4,13)14)7-18-21(5,15)16/h8H,6-7H2,1-5H3,(H,11,12)/p-1.
What are the key properties of N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate has a molecular weight of 346.40 g/mol, XLogP of -1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate is sourced from PubChem (CID 59283234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).