N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide

C9H20BrNO3S — CID 114293791

IUPACN-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)CCCOC
InChIInChI=1S/C9H20BrNO3S/c1-4-9(2,8-10)11-15(12,13)7-5-6-14-3/h11H,4-8H2,1-3H3
InChIKeyBCHALYGOPVEQLK-UHFFFAOYSA-N
MW302.23 g/mol
LogP1.51
Rot. Bonds8

About N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide

N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide (PubChem CID 114293791) has the molecular formula C9H20BrNO3S and a molecular weight of 302.23 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
PubChem CID114293791
Molecular FormulaC9H20BrNO3S
Molecular Weight302.23 g/mol
Exact Mass301.03
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)CCCOC
InChIInChI=1S/C9H20BrNO3S/c1-4-9(2,8-10)11-15(12,13)7-5-6-14-3/h11H,4-8H2,1-3H3
InChIKeyBCHALYGOPVEQLK-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
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-bromo-2-methylbutan-2-yl)-3-methoxypropane-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-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
CID 63290201
2-ethyl-2-(3-methoxypropylsulfonylamino)butanoic acid
CID 79806636
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
3,3,3-trifluoro-2-(3-methoxypropylsulfonylamino)-2-methylpropanoic acid
CID 79793191
N-(1-bromo-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 114293813
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-(3-methylpentan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 106330303
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide (CID 114293791) is N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide is CCC(C)(CBr)NS(=O)(=O)CCCOC.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide?
The InChIKey is BCHALYGOPVEQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO3S/c1-4-9(2,8-10)11-15(12,13)7-5-6-14-3/h11H,4-8H2,1-3H3.
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide?
N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide has a molecular weight of 302.23 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 114293791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).