N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide

C13H25BrN2O2S — CID 114179805

IUPACN-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2CCCCC2CBr)C1
InChIInChI=1S/C13H25BrN2O2S/c1-11-5-4-8-16(10-11)19(17,18)15-13-7-3-2-6-12(13)9-14/h11-13,15H,2-10H2,1H3
InChIKeyOCBOHLYPSMTAKN-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide

N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 114179805) has the molecular formula C13H25BrN2O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
PubChem CID114179805
Molecular FormulaC13H25BrN2O2S
Molecular Weight353.33 g/mol
Exact Mass352.08
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2CCCCC2CBr)C1
InChIInChI=1S/C13H25BrN2O2S/c1-11-5-4-8-16(10-11)19(17,18)15-13-7-3-2-6-12(13)9-14/h11-13,15H,2-10H2,1H3
InChIKeyOCBOHLYPSMTAKN-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.51
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

N-[2-(chloromethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 106367836
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
CID 114295452
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(2-ethylcyclohexyl)azepane-1-sulfonamide
CID 47030327
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135
N-[2-(hydroxymethyl)cyclopentyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103836020
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114294928
1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
CID 106359331

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide (CID 114179805) is N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2CCCCC2CBr)C1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is OCBOHLYPSMTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2O2S/c1-11-5-4-8-16(10-11)19(17,18)15-13-7-3-2-6-12(13)9-14/h11-13,15H,2-10H2,1H3.
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide?
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 353.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114179805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).