N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide

C8H18BrNO3S — CID 104556392

IUPACN-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C(C)CBr
InChIInChI=1S/C8H18BrNO3S/c1-8(7-9)10(2)14(11,12)6-4-5-13-3/h8H,4-7H2,1-3H3
InChIKeyJPEZXRLDLUCLOY-UHFFFAOYSA-N
MW288.21 g/mol
LogP1.07
Rot. Bonds7

About N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide

N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 104556392) has the molecular formula C8H18BrNO3S and a molecular weight of 288.21 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
PubChem CID104556392
Molecular FormulaC8H18BrNO3S
Molecular Weight288.21 g/mol
Exact Mass287.02
IUPAC NameN-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C(C)CBr
InChIInChI=1S/C8H18BrNO3S/c1-8(7-9)10(2)14(11,12)6-4-5-13-3/h8H,4-7H2,1-3H3
InChIKeyJPEZXRLDLUCLOY-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide 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

N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylpropane-1-sulfonamide
CID 63397448
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
1-bromo-2-(2-methoxyethylsulfonylmethyl)-3-methylbutane
CID 65013127
methyl 3-methoxypropane-1-sulfonate
CID 59109575
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 115902698
N-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521
N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290294
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
CID 55173272

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide (CID 104556392) is N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide is COCCCS(=O)(=O)N(C)C(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is JPEZXRLDLUCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO3S/c1-8(7-9)10(2)14(11,12)6-4-5-13-3/h8H,4-7H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide?
N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 288.21 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 104556392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).