N-bromo-N-propylmethanesulfonamide

C4H10BrNO2S — CID 118574418

IUPACN-bromo-N-propylmethanesulfonamide
SMILESCCCN(Br)S(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S/c1-3-4-6(5)9(2,7)8/h3-4H2,1-2H3
InChIKeyRCWHBUAXVHWHDW-UHFFFAOYSA-N
MW216.10 g/mol
LogP0.97
Rot. Bonds3

About N-bromo-N-propylmethanesulfonamide

N-bromo-N-propylmethanesulfonamide (PubChem CID 118574418) has the molecular formula C4H10BrNO2S and a molecular weight of 216.10 g/mol. Its IUPAC name is N-bromo-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-bromo-N-propylmethanesulfonamide
PubChem CID118574418
Molecular FormulaC4H10BrNO2S
Molecular Weight216.10 g/mol
Exact Mass214.96
IUPAC NameN-bromo-N-propylmethanesulfonamide
SMILESCCCN(Br)S(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S/c1-3-4-6(5)9(2,7)8/h3-4H2,1-2H3
InChIKeyRCWHBUAXVHWHDW-UHFFFAOYSA-N
XLogP0.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[methylsulfonyl(propyl)amino] thiohypobromite
CID 18914760
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
N-cyano-N-propylmethanesulfonamide
CID 22259917
N-bromo-N-butyl-1-fluoromethanesulfonamide
CID 118574641
N-(3-bromopropyl)-N-butylmethanesulfonamide
CID 138921783
heptane;methylsulfonylmethane
CID 176706405
N-bromo-N-propylformamide
CID 173221456
N,N-dimethylmethanesulfonamide;ethane;hexane
CID 91522077
1-chloro-N-iodo-N-propylmethanesulfonamide
CID 118574491
N-bromo-N-butyl-2-chloroethanesulfonamide
CID 118574640
3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
CID 113135931
1-[amino(sulfamoyl)amino]propane
CID 90113026

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-propylmethanesulfonamide?
The IUPAC name of N-bromo-N-propylmethanesulfonamide (CID 118574418) is N-bromo-N-propylmethanesulfonamide.
What is the SMILES notation for N-bromo-N-propylmethanesulfonamide?
The canonical SMILES for N-bromo-N-propylmethanesulfonamide is CCCN(Br)S(C)(=O)=O.
What is the InChIKey of N-bromo-N-propylmethanesulfonamide?
The InChIKey is RCWHBUAXVHWHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO2S/c1-3-4-6(5)9(2,7)8/h3-4H2,1-2H3.
What are the key properties of N-bromo-N-propylmethanesulfonamide?
N-bromo-N-propylmethanesulfonamide has a molecular weight of 216.10 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-propylmethanesulfonamide is sourced from PubChem (CID 118574418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).