N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

C8H16BrNO4S2 — CID 106135072

IUPACN-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C8H16BrNO4S2/c1-15(11,12)6-16(13,14)10-5-7-2-3-8(9)4-7/h7-8,10H,2-6H2,1H3
InChIKeyCAFSJELJZRUUEI-UHFFFAOYSA-N
MW334.26 g/mol
LogP0.47
Rot. Bonds5

About N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 106135072) has the molecular formula C8H16BrNO4S2 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID106135072
Molecular FormulaC8H16BrNO4S2
Molecular Weight334.26 g/mol
Exact Mass332.97
IUPAC NameN-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C8H16BrNO4S2/c1-15(11,12)6-16(13,14)10-5-7-2-3-8(9)4-7/h7-8,10H,2-6H2,1H3
InChIKeyCAFSJELJZRUUEI-UHFFFAOYSA-N
XLogP0.47
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide 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-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82841995
N-[[2-(bromomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82842294
N-[1-(bromomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide
CID 82842892
N-[(2-bromocyclohexyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843086
N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843293
N-(4-bromo-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide
CID 82843498
N-[2-(2-bromoethyl)pentyl]-1-methylsulfonylmethanesulfonamide
CID 106118413
N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide
CID 106134990
N-[(3-bromocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 106135007
N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide
CID 106135013
N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 106135016
N-[(3-bromocyclopentyl)methyl]ethanesulfonamide
CID 106135058

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (CID 106135072) is N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is CAFSJELJZRUUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO4S2/c1-15(11,12)6-16(13,14)10-5-7-2-3-8(9)4-7/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 334.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 106135072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).