N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide

C11H23BrN2O2S — CID 114294928

IUPACN-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(C)CCCBr)C1
InChIInChI=1S/C11H23BrN2O2S/c1-10-5-4-8-14(9-10)17(15,16)13-11(2)6-3-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyZQLPNTLLCFNSLX-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.12
Rot. Bonds6

About N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide

N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide (PubChem CID 114294928) has the molecular formula C11H23BrN2O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
PubChem CID114294928
Molecular FormulaC11H23BrN2O2S
Molecular Weight327.29 g/mol
Exact Mass326.07
IUPAC NameN-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(C)CCCBr)C1
InChIInChI=1S/C11H23BrN2O2S/c1-10-5-4-8-14(9-10)17(15,16)13-11(2)6-3-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyZQLPNTLLCFNSLX-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
CID 65285279
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 83178467
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
CID 114295452
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methylpiperidine-1-sulfonamide
CID 106356586
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 61244989
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
3-methyl-N-(1-piperidin-2-ylethyl)piperidine-1-sulfonamide
CID 43523514

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide (CID 114294928) is N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC(C)CCCBr)C1.
What is the InChIKey of N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is ZQLPNTLLCFNSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O2S/c1-10-5-4-8-14(9-10)17(15,16)13-11(2)6-3-7-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide?
N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 327.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114294928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).