1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane

C7H17BrN2O2S — CID 61453557

IUPAC1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCCCBr
InChIInChI=1S/C7H17BrN2O2S/c1-7(2)10(3)13(11,12)9-6-4-5-8/h7,9H,4-6H2,1-3H3
InChIKeyNVLGRVLYEOLDAI-UHFFFAOYSA-N
MW273.20 g/mol
LogP0.95
Rot. Bonds6

About 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane

1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (PubChem CID 61453557) has the molecular formula C7H17BrN2O2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
PubChem CID61453557
Molecular FormulaC7H17BrN2O2S
Molecular Weight273.20 g/mol
Exact Mass272.02
IUPAC Name1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCCCBr
InChIInChI=1S/C7H17BrN2O2S/c1-7(2)10(3)13(11,12)9-6-4-5-8/h7,9H,4-6H2,1-3H3
InChIKeyNVLGRVLYEOLDAI-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
7-[[methyl(propan-2-yl)sulfamoyl]amino]heptanoic acid
CID 54947148
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
CID 56812922
1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 54947518
N-(5-bromopentyl)methanesulfonamide
CID 107323102
3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole
CID 131892301
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830
1-(2-bromoethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 113271502
N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106846746
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide
CID 61454031

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The IUPAC name of 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (CID 61453557) is 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.
What is the SMILES notation for 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The canonical SMILES for 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is CC(C)N(C)S(=O)(=O)NCCCBr.
What is the InChIKey of 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The InChIKey is NVLGRVLYEOLDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BrN2O2S/c1-7(2)10(3)13(11,12)9-6-4-5-8/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane has a molecular weight of 273.20 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is sourced from PubChem (CID 61453557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).