methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate

C7H13BrN2O4S — CID 114466957

IUPACmethyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1(CBr)CCC1
InChIInChI=1S/C7H13BrN2O4S/c1-14-6(11)9-15(12,13)10-7(5-8)3-2-4-7/h10H,2-5H2,1H3,(H,9,11)
InChIKeyGYRZNGYXBNESJO-UHFFFAOYSA-N
MW301.16 g/mol
LogP0.49
Rot. Bonds4

About methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate

methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate (PubChem CID 114466957) has the molecular formula C7H13BrN2O4S and a molecular weight of 301.16 g/mol. Its IUPAC name is methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
PubChem CID114466957
Molecular FormulaC7H13BrN2O4S
Molecular Weight301.16 g/mol
Exact Mass299.98
IUPAC Namemethyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1(CBr)CCC1
InChIInChI=1S/C7H13BrN2O4S/c1-14-6(11)9-15(12,13)10-7(5-8)3-2-4-7/h10H,2-5H2,1H3,(H,9,11)
InChIKeyGYRZNGYXBNESJO-UHFFFAOYSA-N
XLogP0.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 50.49
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
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
CID 114466410
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 114311375
N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
CID 114293779
1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114462405
N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
CID 126981194
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
CID 114282347
methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 113271630

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate?
The IUPAC name of methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate (CID 114466957) is methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate?
The canonical SMILES for methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate is COC(=O)NS(=O)(=O)NC1(CBr)CCC1.
What is the InChIKey of methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate?
The InChIKey is GYRZNGYXBNESJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O4S/c1-14-6(11)9-15(12,13)10-7(5-8)3-2-4-7/h10H,2-5H2,1H3,(H,9,11).
What are the key properties of methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate?
methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate has a molecular weight of 301.16 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate is sourced from PubChem (CID 114466957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).