N-(3-bromopropyl)-N-cyclobutylethanesulfonamide

C9H18BrNO2S — CID 102873368

IUPACN-(3-bromopropyl)-N-cyclobutylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C9H18BrNO2S/c1-2-14(12,13)11(8-4-7-10)9-5-3-6-9/h9H,2-8H2,1H3
InChIKeyVXLDICUXIGCEIY-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.98
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutylethanesulfonamide

N-(3-bromopropyl)-N-cyclobutylethanesulfonamide (PubChem CID 102873368) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutylethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutylethanesulfonamide
PubChem CID102873368
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(3-bromopropyl)-N-cyclobutylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C9H18BrNO2S/c1-2-14(12,13)11(8-4-7-10)9-5-3-6-9/h9H,2-8H2,1H3
InChIKeyVXLDICUXIGCEIY-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873426
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide
CID 102873306
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
CID 102873490
N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
CID 102873383

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutylethanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutylethanesulfonamide (CID 102873368) is N-(3-bromopropyl)-N-cyclobutylethanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutylethanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutylethanesulfonamide is CCS(=O)(=O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutylethanesulfonamide?
The InChIKey is VXLDICUXIGCEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-2-14(12,13)11(8-4-7-10)9-5-3-6-9/h9H,2-8H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutylethanesulfonamide?
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutylethanesulfonamide is sourced from PubChem (CID 102873368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).