N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide

C12H23BrN2O2S — CID 106135059

IUPACN-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2CCC(Br)C2)C1
InChIInChI=1S/C12H23BrN2O2S/c1-10-3-2-6-15(9-10)18(16,17)14-8-11-4-5-12(13)7-11/h10-12,14H,2-9H2,1H3
InChIKeyBGWMRHJGBHBBJP-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.12
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide

N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 106135059) has the molecular formula C12H23BrN2O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
PubChem CID106135059
Molecular FormulaC12H23BrN2O2S
Molecular Weight339.30 g/mol
Exact Mass338.07
IUPAC NameN-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2CCC(Br)C2)C1
InChIInChI=1S/C12H23BrN2O2S/c1-10-3-2-6-15(9-10)18(16,17)14-8-11-4-5-12(13)7-11/h10-12,14H,2-9H2,1H3
InChIKeyBGWMRHJGBHBBJP-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106126037
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
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
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide (CID 106135059) is N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCC2CCC(Br)C2)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is BGWMRHJGBHBBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O2S/c1-10-3-2-6-15(9-10)18(16,17)14-8-11-4-5-12(13)7-11/h10-12,14H,2-9H2,1H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 339.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 106135059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).