ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate

C11H22N4O5S — CID 104929320

IUPACethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(C(N)=NO)CCC(C)CC1
InChIInChI=1S/C11H22N4O5S/c1-3-20-10(16)14-21(18,19)15-11(9(12)13-17)6-4-8(2)5-7-11/h8,15,17H,3-7H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyZIABMLWIIMAFQM-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.26
Rot. Bonds5

About ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate

ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate (PubChem CID 104929320) has the molecular formula C11H22N4O5S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
PubChem CID104929320
Molecular FormulaC11H22N4O5S
Molecular Weight322.39 g/mol
Exact Mass322.13
IUPAC Nameethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(C(N)=NO)CCC(C)CC1
InChIInChI=1S/C11H22N4O5S/c1-3-20-10(16)14-21(18,19)15-11(9(12)13-17)6-4-8(2)5-7-11/h8,15,17H,3-7H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyZIABMLWIIMAFQM-UHFFFAOYSA-N
XLogP0.26
TPSA143.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.26
H-Bond Donors ≤ 54
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

ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
tert-butyl N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]carbamate
CID 76898062
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
CID 114466410
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182737
4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
CID 76912725
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate (CID 104929320) is ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(C(N)=NO)CCC(C)CC1.
What is the InChIKey of ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The InChIKey is ZIABMLWIIMAFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O5S/c1-3-20-10(16)14-21(18,19)15-11(9(12)13-17)6-4-8(2)5-7-11/h8,15,17H,3-7H2,1-2H3,(H2,12,13)(H,14,16).
What are the key properties of ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate has a molecular weight of 322.39 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate is sourced from PubChem (CID 104929320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).