N-methylsulfamoyl bromide

CH4BrNO2S — CID 170980885

IUPACN-methylsulfamoyl bromide
SMILESCNS(=O)(=O)Br
InChIInChI=1S/CH4BrNO2S/c1-3-6(2,4)5/h3H,1H3
InChIKeyFERPXMUDDUZQAW-UHFFFAOYSA-N
MW174.02 g/mol
LogP-0.15
Rot. Bonds1

About N-methylsulfamoyl bromide

N-methylsulfamoyl bromide (PubChem CID 170980885) has the molecular formula CH4BrNO2S and a molecular weight of 174.02 g/mol. Its IUPAC name is N-methylsulfamoyl bromide.

Molecular Properties

Compound NameN-methylsulfamoyl bromide
PubChem CID170980885
Molecular FormulaCH4BrNO2S
Molecular Weight174.02 g/mol
Exact Mass172.91
IUPAC NameN-methylsulfamoyl bromide
SMILESCNS(=O)(=O)Br
InChIInChI=1S/CH4BrNO2S/c1-3-6(2,4)5/h3H,1H3
InChIKeyFERPXMUDDUZQAW-UHFFFAOYSA-N
XLogP-0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.02
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;methylsulfamic acid
CID 173138884
N-methylsulfamoyl fluoride;dihydrochloride
CID 168846426
iron(2+);bis(N-methylsulfamate)
CID 175322487
methanethiol;sulfuryl dibromide
CID 18974430
(methylsulfonylsulfonylamino)methane
CID 54011283
N-(methylsulfamoyl)hydroxylamine
CID 117126057
CID 88565571
CID 88565571
N-(methylaminosulfamoyl)methanamine
CID 57302997
N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218
N-(N-amino-S-methylsulfonimidoyl)methanamine
CID 134485235
N-methylpropane-2-sulfonothioamide
CID 167163905
1-iodo-N-methylethanesulfonamide
CID 137491728

Frequently Asked Questions

What is the IUPAC name of N-methylsulfamoyl bromide?
The IUPAC name of N-methylsulfamoyl bromide (CID 170980885) is N-methylsulfamoyl bromide.
What is the SMILES notation for N-methylsulfamoyl bromide?
The canonical SMILES for N-methylsulfamoyl bromide is CNS(=O)(=O)Br.
What is the InChIKey of N-methylsulfamoyl bromide?
The InChIKey is FERPXMUDDUZQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4BrNO2S/c1-3-6(2,4)5/h3H,1H3.
What are the key properties of N-methylsulfamoyl bromide?
N-methylsulfamoyl bromide has a molecular weight of 174.02 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfamoyl bromide is sourced from PubChem (CID 170980885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).