methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate

C8H15ClN2O4S — CID 114466330

IUPACmethyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CCC(Cl)CC1
InChIInChI=1S/C8H15ClN2O4S/c1-15-8(12)11-16(13,14)10-7-4-2-6(9)3-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyBYJAEXYKIUQVIN-UHFFFAOYSA-N
MW270.74 g/mol
LogP0.73
Rot. Bonds3

About methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate

methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate (PubChem CID 114466330) has the molecular formula C8H15ClN2O4S and a molecular weight of 270.74 g/mol. Its IUPAC name is methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate
PubChem CID114466330
Molecular FormulaC8H15ClN2O4S
Molecular Weight270.74 g/mol
Exact Mass270.04
IUPAC Namemethyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CCC(Cl)CC1
InChIInChI=1S/C8H15ClN2O4S/c1-15-8(12)11-16(13,14)10-7-4-2-6(9)3-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyBYJAEXYKIUQVIN-UHFFFAOYSA-N
XLogP0.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate (CID 114466330) is methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)NC1CCC(Cl)CC1.
What is the InChIKey of methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate?
The InChIKey is BYJAEXYKIUQVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O4S/c1-15-8(12)11-16(13,14)10-7-4-2-6(9)3-5-7/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate?
methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate has a molecular weight of 270.74 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).