N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

C8H16BrNO4S2 — CID 82843293

IUPACN-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCCC1Br
InChIInChI=1S/C8H16BrNO4S2/c1-15(11,12)6-16(13,14)10-5-7-3-2-4-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeySVWDVTDWWZABAI-UHFFFAOYSA-N
MW334.26 g/mol
LogP0.47
Rot. Bonds5

About N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82843293) has the molecular formula C8H16BrNO4S2 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82843293
Molecular FormulaC8H16BrNO4S2
Molecular Weight334.26 g/mol
Exact Mass332.97
IUPAC NameN-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCCC1Br
InChIInChI=1S/C8H16BrNO4S2/c1-15(11,12)6-16(13,14)10-5-7-3-2-4-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeySVWDVTDWWZABAI-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (CID 82843293) is N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is SVWDVTDWWZABAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO4S2/c1-15(11,12)6-16(13,14)10-5-7-3-2-4-8(7)9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
N-[(2-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-[(2-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82843293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).