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

C9H17NO6S — CID 177106226

IUPACmethyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate
SMILESCOC(=O)CS(=O)(=O)COC(C)(C)CNC=O
InChIInChI=1S/C9H17NO6S/c1-9(2,5-10-6-11)16-7-17(13,14)4-8(12)15-3/h6H,4-5,7H2,1-3H3,(H,10,11)
InChIKeyTVJVUNMEGGDQRK-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.93
Rot. Bonds8

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

methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate (PubChem CID 177106226) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate
PubChem CID177106226
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Namemethyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate
SMILESCOC(=O)CS(=O)(=O)COC(C)(C)CNC=O
InChIInChI=1S/C9H17NO6S/c1-9(2,5-10-6-11)16-7-17(13,14)4-8(12)15-3/h6H,4-5,7H2,1-3H3,(H,10,11)
InChIKeyTVJVUNMEGGDQRK-UHFFFAOYSA-N
XLogP-0.93
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(fluorosulfonyl)-2-methoxy-2-methylpropyl]carbamate
CID 165870708
Tert-butyl {2-[2-(methylsulfonyl)ethoxy]ethyl}carbamate
CID 86645467
N-(2-methoxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 176706435
Methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonylmethylsulfanyl]acetate
CID 177106185
Methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfanyl]acetate
CID 177106212
tert-butyl N-[3-(chlorosulfonyl)-2-methoxy-2-methylpropyl]carbamate
CID 165553896

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate?
The IUPAC name of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate (CID 177106226) is methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate.
What is the SMILES notation for methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate?
The canonical SMILES for methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate is COC(=O)CS(=O)(=O)COC(C)(C)CNC=O.
What is the InChIKey of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate?
The InChIKey is TVJVUNMEGGDQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-9(2,5-10-6-11)16-7-17(13,14)4-8(12)15-3/h6H,4-5,7H2,1-3H3,(H,10,11).
What are the key properties of methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate?
methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate has a molecular weight of 267.30 g/mol, XLogP of -0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-formamido-2-methylpropan-2-yl)oxymethylsulfonyl]acetate is sourced from PubChem (CID 177106226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).