ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate

C10H19BrN2O4S — CID 114466703

IUPACethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC1CCCC1CBr
InChIInChI=1S/C10H19BrN2O4S/c1-2-17-10(14)13-18(15,16)12-7-9-5-3-4-8(9)6-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCDWOEMYMDAJINL-UHFFFAOYSA-N
MW343.24 g/mol
LogP1.38
Rot. Bonds6

About ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate

ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate (PubChem CID 114466703) has the molecular formula C10H19BrN2O4S and a molecular weight of 343.24 g/mol. Its IUPAC name is ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
PubChem CID114466703
Molecular FormulaC10H19BrN2O4S
Molecular Weight343.24 g/mol
Exact Mass342.02
IUPAC Nameethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC1CCCC1CBr
InChIInChI=1S/C10H19BrN2O4S/c1-2-17-10(14)13-18(15,16)12-7-9-5-3-4-8(9)6-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCDWOEMYMDAJINL-UHFFFAOYSA-N
XLogP1.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 51.38
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

ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
CID 114463214
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114464267
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-(2-piperidin-3-ylethylsulfamoyl)carbamate
CID 114463242
ethyl N-[2-bromoethyl(cyclobutyl)sulfamoyl]carbamate
CID 102873518
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate (CID 114466703) is ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCC1CCCC1CBr.
What is the InChIKey of ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate?
The InChIKey is CDWOEMYMDAJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O4S/c1-2-17-10(14)13-18(15,16)12-7-9-5-3-4-8(9)6-11/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate?
ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate has a molecular weight of 343.24 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate is sourced from PubChem (CID 114466703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).