tert-butyl N-methyl-N-methylsulfonylcarbamate

C7H15NO4S — CID 57476619

IUPACtert-butyl N-methyl-N-methylsulfonylcarbamate
SMILESCN(C(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)12-6(9)8(4)13(5,10)11/h1-5H3
InChIKeyGBCCMPHACGIDKA-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.81
Rot. Bonds1

About tert-butyl N-methyl-N-methylsulfonylcarbamate

tert-butyl N-methyl-N-methylsulfonylcarbamate (PubChem CID 57476619) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-methylsulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-methylsulfonylcarbamate
PubChem CID57476619
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Nametert-butyl N-methyl-N-methylsulfonylcarbamate
SMILESCN(C(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)12-6(9)8(4)13(5,10)11/h1-5H3
InChIKeyGBCCMPHACGIDKA-UHFFFAOYSA-N
XLogP0.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
tert-butyl N-methyl-N-prop-1-ynylcarbamate
CID 141180381
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid
CID 2755977
tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030174
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfonylbutanoic acid
CID 21476315
tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate
CID 70317215
tert-butyl 2-[methyl(methylsulfonylmethyl)amino]acetate
CID 146649341
tert-butyl N-[1,1-bis[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-N-fluorocarbamate
CID 57014425

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-methylsulfonylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-methylsulfonylcarbamate (CID 57476619) is tert-butyl N-methyl-N-methylsulfonylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-methylsulfonylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-methylsulfonylcarbamate is CN(C(=O)OC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-methyl-N-methylsulfonylcarbamate?
The InChIKey is GBCCMPHACGIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,3)12-6(9)8(4)13(5,10)11/h1-5H3.
What are the key properties of tert-butyl N-methyl-N-methylsulfonylcarbamate?
tert-butyl N-methyl-N-methylsulfonylcarbamate has a molecular weight of 209.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-methylsulfonylcarbamate is sourced from PubChem (CID 57476619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).