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

C11H23BrN2O2S — CID 114293836

IUPACN-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H23BrN2O2S/c1-4-11(3,9-12)13-17(15,16)14-7-5-6-10(2)8-14/h10,13H,4-9H2,1-3H3
InChIKeyVWMWPMLDLJNPDR-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.12
Rot. Bonds5

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

N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide (PubChem CID 114293836) has the molecular formula C11H23BrN2O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide
PubChem CID114293836
Molecular FormulaC11H23BrN2O2S
Molecular Weight327.29 g/mol
Exact Mass326.07
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H23BrN2O2S/c1-4-11(3,9-12)13-17(15,16)14-7-5-6-10(2)8-14/h10,13H,4-9H2,1-3H3
InChIKeyVWMWPMLDLJNPDR-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114294928
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 115754110
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
CID 114295452
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methylpiperidine-1-sulfonamide
CID 106356586
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
CID 61136006

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide (CID 114293836) is N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide is CCC(C)(CBr)NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is VWMWPMLDLJNPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O2S/c1-4-11(3,9-12)13-17(15,16)14-7-5-6-10(2)8-14/h10,13H,4-9H2,1-3H3.
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide?
N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 327.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114293836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).