methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate

C12H26N2O5S — CID 155246171

IUPACmethyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C12H26N2O5S/c1-11(2,3)8-19-9-12(4,5)7-13-20(16,17)14-10(15)18-6/h13H,7-9H2,1-6H3,(H,14,15)
InChIKeyODOAGDYICJFMSY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.27
Rot. Bonds7

About methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate

methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate (PubChem CID 155246171) has the molecular formula C12H26N2O5S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate
PubChem CID155246171
Molecular FormulaC12H26N2O5S
Molecular Weight310.42 g/mol
Exact Mass310.16
IUPAC Namemethyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C12H26N2O5S/c1-11(2,3)8-19-9-12(4,5)7-13-20(16,17)14-10(15)18-6/h13H,7-9H2,1-6H3,(H,14,15)
InChIKeyODOAGDYICJFMSY-UHFFFAOYSA-N
XLogP1.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate
CID 106144041
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
CID 114464222
1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
CID 58571431
methyl N-(2-azidoethylsulfamoyl)carbamate
CID 114466121
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
CID 114464184

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate?
The IUPAC name of methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate (CID 155246171) is methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate?
The canonical SMILES for methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate is COC(=O)NS(=O)(=O)NCC(C)(C)COCC(C)(C)C.
What is the InChIKey of methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate?
The InChIKey is ODOAGDYICJFMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O5S/c1-11(2,3)8-19-9-12(4,5)7-13-20(16,17)14-10(15)18-6/h13H,7-9H2,1-6H3,(H,14,15).
What are the key properties of methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate?
methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate has a molecular weight of 310.42 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate is sourced from PubChem (CID 155246171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).