1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide

C7H15BrN2O2S — CID 83084018

IUPAC1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CBr)CC1
InChIInChI=1S/C7H15BrN2O2S/c1-10-4-2-7(3-5-10)9-13(11,12)6-8/h7,9H,2-6H2,1H3
InChIKeyWBZJYEMNLKJEPW-UHFFFAOYSA-N
MW271.18 g/mol
LogP0.35
Rot. Bonds3

About 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide

1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide (PubChem CID 83084018) has the molecular formula C7H15BrN2O2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide
PubChem CID83084018
Molecular FormulaC7H15BrN2O2S
Molecular Weight271.18 g/mol
Exact Mass270.00
IUPAC Name1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CBr)CC1
InChIInChI=1S/C7H15BrN2O2S/c1-10-4-2-7(3-5-10)9-13(11,12)6-8/h7,9H,2-6H2,1H3
InChIKeyWBZJYEMNLKJEPW-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 50.35
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

1-bromo-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 83084232
2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
CID 83084786
1-methyl-N-(methylsulfonimidoyl)piperidin-4-amine
CID 142055427
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973820
1-bromo-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
CID 83092438
N-(1-cyclopentylpiperidin-4-yl)ethanesulfonamide
CID 110752084
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide
CID 82840219
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296
1-methyl-N-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 64630112
ethane;1-methyl-4-(methylsulfonylmethyl)piperidine
CID 145006489

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide (CID 83084018) is 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide is CN1CCC(NS(=O)(=O)CBr)CC1.
What is the InChIKey of 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The InChIKey is WBZJYEMNLKJEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2O2S/c1-10-4-2-7(3-5-10)9-13(11,12)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide?
1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide has a molecular weight of 271.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 83084018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).