1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide

C10H21BrN2O2S — CID 83086462

IUPAC1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CBr)CN1CCCCC1
InChIInChI=1S/C10H21BrN2O2S/c1-10(7-12-16(14,15)9-11)8-13-5-3-2-4-6-13/h10,12H,2-9H2,1H3
InChIKeyJHZNGHIBGSXEFJ-UHFFFAOYSA-N
MW313.26 g/mol
LogP1.38
Rot. Bonds6

About 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide

1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 83086462) has the molecular formula C10H21BrN2O2S and a molecular weight of 313.26 g/mol. Its IUPAC name is 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID83086462
Molecular FormulaC10H21BrN2O2S
Molecular Weight313.26 g/mol
Exact Mass312.05
IUPAC Name1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CBr)CN1CCCCC1
InChIInChI=1S/C10H21BrN2O2S/c1-10(7-12-16(14,15)9-11)8-13-5-3-2-4-6-13/h10,12H,2-9H2,1H3
InChIKeyJHZNGHIBGSXEFJ-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 55142284
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide (CID 83086462) is 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide is CC(CNS(=O)(=O)CBr)CN1CCCCC1.
What is the InChIKey of 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is JHZNGHIBGSXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O2S/c1-10(7-12-16(14,15)9-11)8-13-5-3-2-4-6-13/h10,12H,2-9H2,1H3.
What are the key properties of 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide?
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 313.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 83086462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).