ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate

C10H19ClN2O4S — CID 114466202

IUPACethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H19ClN2O4S/c1-2-17-10(14)12-18(15,16)13(8-7-11)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyUMFYVDWRRUGENF-UHFFFAOYSA-N
MW298.79 g/mol
LogP1.46
Rot. Bonds6

About ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate

ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate (PubChem CID 114466202) has the molecular formula C10H19ClN2O4S and a molecular weight of 298.79 g/mol. Its IUPAC name is ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
PubChem CID114466202
Molecular FormulaC10H19ClN2O4S
Molecular Weight298.79 g/mol
Exact Mass298.08
IUPAC Nameethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H19ClN2O4S/c1-2-17-10(14)12-18(15,16)13(8-7-11)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyUMFYVDWRRUGENF-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-bromoethyl(cyclobutyl)sulfamoyl]carbamate
CID 102873518
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
CID 114466236
ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
CID 114461853
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466863
ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate
CID 102635643
propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate
CID 114461157
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
ethyl N-[ethyl(piperidin-2-ylmethyl)sulfamoyl]carbamate
CID 106630320

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate (CID 114466202) is ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate?
The InChIKey is UMFYVDWRRUGENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O4S/c1-2-17-10(14)12-18(15,16)13(8-7-11)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate?
ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate has a molecular weight of 298.79 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).