N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide

C12H25BrN2O2S — CID 107848876

IUPACN-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCCCCBr)C1
InChIInChI=1S/C12H25BrN2O2S/c1-12-7-6-10-15(11-12)18(16,17)14-9-5-3-2-4-8-13/h12,14H,2-11H2,1H3
InChIKeyZJZHKYHTQRUABC-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.51
Rot. Bonds8

About N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide

N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 107848876) has the molecular formula C12H25BrN2O2S and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
PubChem CID107848876
Molecular FormulaC12H25BrN2O2S
Molecular Weight341.32 g/mol
Exact Mass340.08
IUPAC NameN-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCCCCBr)C1
InChIInChI=1S/C12H25BrN2O2S/c1-12-7-6-10-15(11-12)18(16,17)14-9-5-3-2-4-8-13/h12,14H,2-11H2,1H3
InChIKeyZJZHKYHTQRUABC-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.51
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

3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114294928
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
CID 114295452
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
CID 107322992
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine-1-sulfonamide
CID 86989323
3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 46595882
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106135059
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide (CID 107848876) is N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCCCCCCBr)C1.
What is the InChIKey of N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is ZJZHKYHTQRUABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2O2S/c1-12-7-6-10-15(11-12)18(16,17)14-9-5-3-2-4-8-13/h12,14H,2-11H2,1H3.
What are the key properties of N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide?
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 341.32 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107848876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).