ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate

C9H20N4O5S — CID 104929326

IUPACethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)CC(C)C(N)=NO
InChIInChI=1S/C9H20N4O5S/c1-4-13(6-7(3)8(10)11-15)19(16,17)12-9(14)18-5-2/h7,15H,4-6H2,1-3H3,(H2,10,11)(H,12,14)
InChIKeyLLTBCEOKNFNCPU-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.32
Rot. Bonds7

About ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate

ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate (PubChem CID 104929326) has the molecular formula C9H20N4O5S and a molecular weight of 296.35 g/mol. Its IUPAC name is ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate
PubChem CID104929326
Molecular FormulaC9H20N4O5S
Molecular Weight296.35 g/mol
Exact Mass296.12
IUPAC Nameethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)CC(C)C(N)=NO
InChIInChI=1S/C9H20N4O5S/c1-4-13(6-7(3)8(10)11-15)19(16,17)12-9(14)18-5-2/h7,15H,4-6H2,1-3H3,(H2,10,11)(H,12,14)
InChIKeyLLTBCEOKNFNCPU-UHFFFAOYSA-N
XLogP-0.32
TPSA134.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82843072
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
CID 114464365
N'-hydroxy-2-methyl-3-[methyl(propylsulfamoyl)amino]propanimidamide
CID 104978362
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015078
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
ethyl 4-amino-4-hydroxyimino-3-methylbutanoate
CID 173470343
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
CID 54987486
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038489
ethyl N-[4-(1-amino-1-hydroxyiminopropan-2-yl)piperazin-1-yl]sulfonylcarbamate
CID 104929373
3-[(4-bromophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910755
3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 83058533

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate (CID 104929326) is ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CC)CC(C)C(N)=NO.
What is the InChIKey of ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate?
The InChIKey is LLTBCEOKNFNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O5S/c1-4-13(6-7(3)8(10)11-15)19(16,17)12-9(14)18-5-2/h7,15H,4-6H2,1-3H3,(H2,10,11)(H,12,14).
What are the key properties of ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate?
ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate has a molecular weight of 296.35 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylsulfamoyl]carbamate is sourced from PubChem (CID 104929326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).