1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane

C10H20N2O4S — CID 114815357

IUPAC1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane
SMILESCOCCNS(=O)(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-12(9-3-5-10(13)6-4-9)17(14,15)11-7-8-16-2/h9,11H,3-8H2,1-2H3
InChIKeyLBMMRROIWIPQQX-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.09
Rot. Bonds6

About 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane

1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane (PubChem CID 114815357) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane.

Molecular Properties

Compound Name1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane
PubChem CID114815357
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane
SMILESCOCCNS(=O)(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-12(9-3-5-10(13)6-4-9)17(14,15)11-7-8-16-2/h9,11H,3-8H2,1-2H3
InChIKeyLBMMRROIWIPQQX-UHFFFAOYSA-N
XLogP-0.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
CID 114814428
4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one
CID 79120597
N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 79120310
3-[[cyclopropyl(methyl)sulfamoyl]amino]propylbenzene
CID 75372465
[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
CID 120717956
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
CID 55100441
1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane
CID 114813893
3-[2-methoxyethylsulfamoyl(propyl)amino]pyrrolidine
CID 114814259
[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
CID 119987276
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
CID 63253809

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane?
The IUPAC name of 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane (CID 114815357) is 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane.
What is the SMILES notation for 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane?
The canonical SMILES for 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane is COCCNS(=O)(=O)N(C)C1CCC(=O)CC1.
What is the InChIKey of 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane?
The InChIKey is LBMMRROIWIPQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-12(9-3-5-10(13)6-4-9)17(14,15)11-7-8-16-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane?
1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane has a molecular weight of 264.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethylsulfamoyl(methyl)amino]-4-oxocyclohexane is sourced from PubChem (CID 114815357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).