N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide

C12H23BrN2O2S — CID 102873505

IUPACN-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C12H23BrN2O2S/c1-11-5-2-3-9-14(11)18(16,17)15(10-8-13)12-6-4-7-12/h11-12H,2-10H2,1H3
InChIKeyGJWSCWDXKXHNGO-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.36
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide

N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide (PubChem CID 102873505) has the molecular formula C12H23BrN2O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide
PubChem CID102873505
Molecular FormulaC12H23BrN2O2S
Molecular Weight339.30 g/mol
Exact Mass338.07
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(CCBr)C1CCC1
InChIInChI=1S/C12H23BrN2O2S/c1-11-5-2-3-9-14(11)18(16,17)15(10-8-13)12-6-4-7-12/h11-12H,2-10H2,1H3
InChIKeyGJWSCWDXKXHNGO-UHFFFAOYSA-N
XLogP2.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.36
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-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide
CID 43136981
N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
CID 102873540
(2R)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301386
N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 80669420
(2S)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301387
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
N-(2-hydroxyethyl)-2-methyl-N-propylpiperidine-1-sulfonamide
CID 61425514
N,N,2-trimethylpyrrolidine-1-sulfonamide
CID 110728214

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide (CID 102873505) is N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide?
The InChIKey is GJWSCWDXKXHNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O2S/c1-11-5-2-3-9-14(11)18(16,17)15(10-8-13)12-6-4-7-12/h11-12H,2-10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide?
N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide has a molecular weight of 339.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 102873505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).