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

C14H27BrN2O2S — CID 114295452

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2CCCCC2CBr)C1
InChIInChI=1S/C14H27BrN2O2S/c1-12-5-4-8-17(11-12)20(18,19)16-10-14-7-3-2-6-13(14)9-15/h12-14,16H,2-11H2,1H3
InChIKeyBBHQTSWPDQLFRB-UHFFFAOYSA-N
MW367.35 g/mol
LogP2.75
Rot. Bonds5

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

N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 114295452) has the molecular formula C14H27BrN2O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
PubChem CID114295452
Molecular FormulaC14H27BrN2O2S
Molecular Weight367.35 g/mol
Exact Mass366.10
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2CCCCC2CBr)C1
InChIInChI=1S/C14H27BrN2O2S/c1-12-5-4-8-17(11-12)20(18,19)16-10-14-7-3-2-6-13(14)9-15/h12-14,16H,2-11H2,1H3
InChIKeyBBHQTSWPDQLFRB-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.75
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-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106135059
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106126037
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114294928
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-[2-(chloromethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 106367836

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide (CID 114295452) is N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCC2CCCCC2CBr)C1.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is BBHQTSWPDQLFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O2S/c1-12-5-4-8-17(11-12)20(18,19)16-10-14-7-3-2-6-13(14)9-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 367.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114295452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).