methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate

C7H13ClN2O4S — CID 106444350

IUPACmethyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CCCC1Cl
InChIInChI=1S/C7H13ClN2O4S/c1-14-7(11)10-15(12,13)9-6-4-2-3-5(6)8/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyWGZLCUGQBMZHTM-UHFFFAOYSA-N
MW256.71 g/mol
LogP0.34
Rot. Bonds3

About methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate

methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate (PubChem CID 106444350) has the molecular formula C7H13ClN2O4S and a molecular weight of 256.71 g/mol. Its IUPAC name is methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
PubChem CID106444350
Molecular FormulaC7H13ClN2O4S
Molecular Weight256.71 g/mol
Exact Mass256.03
IUPAC Namemethyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CCCC1Cl
InChIInChI=1S/C7H13ClN2O4S/c1-14-7(11)10-15(12,13)9-6-4-2-3-5(6)8/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyWGZLCUGQBMZHTM-UHFFFAOYSA-N
XLogP0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 50.34
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-(4-chloropentylsulfamoyl)carbamate
CID 106135524
methyl N-[[2-(chloromethyl)cyclopentyl]sulfamoyl]carbamate
CID 106367576
ethyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
CID 106444235
propan-2-yl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
CID 106444312
methyl N-(4-chlorobutylsulfamoyl)carbamate
CID 106846481
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
methyl N-(6-chlorohexylsulfamoyl)carbamate
CID 107849195
methyl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466312
methyl N-[(4-chlorocyclohexyl)sulfamoyl]carbamate
CID 114466330
methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate
CID 114466356
methyl N-[(2-chlorocyclohexyl)sulfamoyl]carbamate
CID 114466383
methyl N-(3-chlorobutylsulfamoyl)carbamate
CID 114466394

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate (CID 106444350) is methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)NC1CCCC1Cl.
What is the InChIKey of methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
The InChIKey is WGZLCUGQBMZHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O4S/c1-14-7(11)10-15(12,13)9-6-4-2-3-5(6)8/h5-6,9H,2-4H2,1H3,(H,10,11).
What are the key properties of methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate?
methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate has a molecular weight of 256.71 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate is sourced from PubChem (CID 106444350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).