N-(3-bromobutyl)piperidine-1-sulfonamide

C9H19BrN2O2S — CID 114297689

IUPACN-(3-bromobutyl)piperidine-1-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H19BrN2O2S/c1-9(10)5-6-11-15(13,14)12-7-3-2-4-8-12/h9,11H,2-8H2,1H3
InChIKeyROGUIFXDEXMHCG-UHFFFAOYSA-N
MW299.23 g/mol
LogP1.48
Rot. Bonds5

About N-(3-bromobutyl)piperidine-1-sulfonamide

N-(3-bromobutyl)piperidine-1-sulfonamide (PubChem CID 114297689) has the molecular formula C9H19BrN2O2S and a molecular weight of 299.23 g/mol. Its IUPAC name is N-(3-bromobutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromobutyl)piperidine-1-sulfonamide
PubChem CID114297689
Molecular FormulaC9H19BrN2O2S
Molecular Weight299.23 g/mol
Exact Mass298.04
IUPAC NameN-(3-bromobutyl)piperidine-1-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H19BrN2O2S/c1-9(10)5-6-11-15(13,14)12-7-3-2-4-8-12/h9,11H,2-8H2,1H3
InChIKeyROGUIFXDEXMHCG-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 51.48
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

N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
N-(3-bromo-4-methoxybutyl)pyrrolidine-1-sulfonamide
CID 106245632
2-methyl-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 80540441
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
N-ethylazepane-1-sulfonamide
CID 43213421
(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934018
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-bromobutyl)piperidine-1-sulfonamide (CID 114297689) is N-(3-bromobutyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-bromobutyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-bromobutyl)piperidine-1-sulfonamide is CC(Br)CCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-bromobutyl)piperidine-1-sulfonamide?
The InChIKey is ROGUIFXDEXMHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2O2S/c1-9(10)5-6-11-15(13,14)12-7-3-2-4-8-12/h9,11H,2-8H2,1H3.
What are the key properties of N-(3-bromobutyl)piperidine-1-sulfonamide?
N-(3-bromobutyl)piperidine-1-sulfonamide has a molecular weight of 299.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114297689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).