methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate

C10H19NO6S2 — CID 177106185

IUPACmethyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate
SMILESCOC(=O)CSCS(=O)(=O)COC(C)(C)CNC=O
InChIInChI=1S/C10H19NO6S2/c1-10(2,5-11-6-12)17-7-19(14,15)8-18-4-9(13)16-3/h6H,4-5,7-8H2,1-3H3,(H,11,12)
InChIKeyOPWZFACCNVNVDM-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.24
Rot. Bonds10

About methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate

methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate (PubChem CID 177106185) has the molecular formula C10H19NO6S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate
PubChem CID177106185
Molecular FormulaC10H19NO6S2
Molecular Weight313.40 g/mol
Exact Mass313.07
IUPAC Namemethyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate
SMILESCOC(=O)CSCS(=O)(=O)COC(C)(C)CNC=O
InChIInChI=1S/C10H19NO6S2/c1-10(2,5-11-6-12)17-7-19(14,15)8-18-4-9(13)16-3/h6H,4-5,7-8H2,1-3H3,(H,11,12)
InChIKeyOPWZFACCNVNVDM-UHFFFAOYSA-N
XLogP-0.24
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfanyl]acetate
CID 177106212
Methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate
CID 177106226

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate?
The IUPAC name of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate (CID 177106185) is methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate?
The canonical SMILES for methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate is COC(=O)CSCS(=O)(=O)COC(C)(C)CNC=O.
What is the InChIKey of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate?
The InChIKey is OPWZFACCNVNVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S2/c1-10(2,5-11-6-12)17-7-19(14,15)8-18-4-9(13)16-3/h6H,4-5,7-8H2,1-3H3,(H,11,12).
What are the key properties of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate?
methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate has a molecular weight of 313.40 g/mol, XLogP of -0.24, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate is sourced from PubChem (CID 177106185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).