methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate

C6H14N2O6S — CID 114463719

IUPACmethyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCC(OC)OC
InChIInChI=1S/C6H14N2O6S/c1-12-5(13-2)4-7-15(10,11)8-6(9)14-3/h5,7H,4H2,1-3H3,(H,8,9)
InChIKeyTYMZGYDHMJFHLL-UHFFFAOYSA-N
MW242.25 g/mol
LogP-1.20
Rot. Bonds6

About methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate

methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate (PubChem CID 114463719) has the molecular formula C6H14N2O6S and a molecular weight of 242.25 g/mol. Its IUPAC name is methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
PubChem CID114463719
Molecular FormulaC6H14N2O6S
Molecular Weight242.25 g/mol
Exact Mass242.06
IUPAC Namemethyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCC(OC)OC
InChIInChI=1S/C6H14N2O6S/c1-12-5(13-2)4-7-15(10,11)8-6(9)14-3/h5,7H,4H2,1-3H3,(H,8,9)
InChIKeyTYMZGYDHMJFHLL-UHFFFAOYSA-N
XLogP-1.20
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
CID 106288784
3-[(methoxycarbonylsulfamoylamino)methyl]-5-methylhexanoic acid
CID 114462794
methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093
methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
CID 106306653
N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
CID 143635206
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate?
The IUPAC name of methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate (CID 114463719) is methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCC(OC)OC.
What is the InChIKey of methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate?
The InChIKey is TYMZGYDHMJFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O6S/c1-12-5(13-2)4-7-15(10,11)8-6(9)14-3/h5,7H,4H2,1-3H3,(H,8,9).
What are the key properties of methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate?
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate has a molecular weight of 242.25 g/mol, XLogP of -1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate is sourced from PubChem (CID 114463719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).