ethylsulfamoyl N-tert-butylcarbamate

C7H16N2O4S — CID 174832303

IUPACethylsulfamoyl N-tert-butylcarbamate
SMILESCCNS(=O)(=O)OC(=O)NC(C)(C)C
InChIInChI=1S/C7H16N2O4S/c1-5-8-14(11,12)13-6(10)9-7(2,3)4/h8H,5H2,1-4H3,(H,9,10)
InChIKeyXXJCKSQVMLDVBQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.37
Rot. Bonds3

About ethylsulfamoyl N-tert-butylcarbamate

ethylsulfamoyl N-tert-butylcarbamate (PubChem CID 174832303) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethylsulfamoyl N-tert-butylcarbamate.

Molecular Properties

Compound Nameethylsulfamoyl N-tert-butylcarbamate
PubChem CID174832303
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Nameethylsulfamoyl N-tert-butylcarbamate
SMILESCCNS(=O)(=O)OC(=O)NC(C)(C)C
InChIInChI=1S/C7H16N2O4S/c1-5-8-14(11,12)13-6(10)9-7(2,3)4/h8H,5H2,1-4H3,(H,9,10)
InChIKeyXXJCKSQVMLDVBQ-UHFFFAOYSA-N
XLogP0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
amino N-ethylsulfamate
CID 141419939
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
(1,1,1-trichloro-2-methylpropan-2-yl) N-tert-butylcarbamate
CID 58798525
[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate
CID 142755204
sodium;ethyl N-ethylsulfamate;hydride
CID 174521414
2-ethylsulfanylethyl N-tert-butylcarbamate
CID 174520312
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate
CID 175238787
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
CID 114464222

Frequently Asked Questions

What is the IUPAC name of ethylsulfamoyl N-tert-butylcarbamate?
The IUPAC name of ethylsulfamoyl N-tert-butylcarbamate (CID 174832303) is ethylsulfamoyl N-tert-butylcarbamate.
What is the SMILES notation for ethylsulfamoyl N-tert-butylcarbamate?
The canonical SMILES for ethylsulfamoyl N-tert-butylcarbamate is CCNS(=O)(=O)OC(=O)NC(C)(C)C.
What is the InChIKey of ethylsulfamoyl N-tert-butylcarbamate?
The InChIKey is XXJCKSQVMLDVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-5-8-14(11,12)13-6(10)9-7(2,3)4/h8H,5H2,1-4H3,(H,9,10).
What are the key properties of ethylsulfamoyl N-tert-butylcarbamate?
ethylsulfamoyl N-tert-butylcarbamate has a molecular weight of 224.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfamoyl N-tert-butylcarbamate is sourced from PubChem (CID 174832303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).