ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate

C10H19ClN2O4S — CID 114466410

IUPACethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CCl)CCCCC1
InChIInChI=1S/C10H19ClN2O4S/c1-2-17-9(14)12-18(15,16)13-10(8-11)6-4-3-5-7-10/h13H,2-8H2,1H3,(H,12,14)
InChIKeyZARBUQNLIJWRML-UHFFFAOYSA-N
MW298.79 g/mol
LogP1.51
Rot. Bonds5

About ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate

ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate (PubChem CID 114466410) has the molecular formula C10H19ClN2O4S and a molecular weight of 298.79 g/mol. Its IUPAC name is ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
PubChem CID114466410
Molecular FormulaC10H19ClN2O4S
Molecular Weight298.79 g/mol
Exact Mass298.08
IUPAC Nameethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CCl)CCCCC1
InChIInChI=1S/C10H19ClN2O4S/c1-2-17-9(14)12-18(15,16)13-10(8-11)6-4-3-5-7-10/h13H,2-8H2,1H3,(H,12,14)
InChIKeyZARBUQNLIJWRML-UHFFFAOYSA-N
XLogP1.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466954
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466957
propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate
CID 106301452
ethyl N-[1-(3-chloro-2-oxopropyl)cyclohexyl]carbamate
CID 104701425
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate (CID 114466410) is ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(CCl)CCCCC1.
What is the InChIKey of ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate?
The InChIKey is ZARBUQNLIJWRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O4S/c1-2-17-9(14)12-18(15,16)13-10(8-11)6-4-3-5-7-10/h13H,2-8H2,1H3,(H,12,14).
What are the key properties of ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate?
ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate has a molecular weight of 298.79 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate is sourced from PubChem (CID 114466410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).