N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide

C11H23BrN2O2S — CID 107322992

IUPACN-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCCCCCBr
InChIInChI=1S/C11H23BrN2O2S/c1-11-7-3-6-10-14(11)17(15,16)13-9-5-2-4-8-12/h11,13H,2-10H2,1H3
InChIKeyFFYLMMHUJPMAIO-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.26
Rot. Bonds7

About N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide

N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 107322992) has the molecular formula C11H23BrN2O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
PubChem CID107322992
Molecular FormulaC11H23BrN2O2S
Molecular Weight327.29 g/mol
Exact Mass326.07
IUPAC NameN-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCCCCCBr
InChIInChI=1S/C11H23BrN2O2S/c1-11-7-3-6-10-14(11)17(15,16)13-9-5-2-4-8-12/h11,13H,2-10H2,1H3
InChIKeyFFYLMMHUJPMAIO-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide
CID 106387026
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
CID 113462919

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide (CID 107322992) is N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is FFYLMMHUJPMAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O2S/c1-11-7-3-6-10-14(11)17(15,16)13-9-5-2-4-8-12/h11,13H,2-10H2,1H3.
What are the key properties of N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide?
N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 327.29 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107322992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).