2-(3-bromopropyl)-1-methylsulfonylpyrrolidine

C8H16BrNO2S — CID 80675195

IUPAC2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCCC1CCCBr
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-3-5-8(10)4-2-6-9/h8H,2-7H2,1H3
InChIKeyPJOMMIMWSLTFFU-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine

2-(3-bromopropyl)-1-methylsulfonylpyrrolidine (PubChem CID 80675195) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
PubChem CID80675195
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCCC1CCCBr
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-3-5-8(10)4-2-6-9/h8H,2-7H2,1H3
InChIKeyPJOMMIMWSLTFFU-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromopropyl)-1-tert-butylsulfonylpyrrolidine
CID 80675102
1-[2-(3-bromopropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 80674653
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate
CID 18661066
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
2-(3-bromopropyl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 80675411
2-(2-bromoethyl)-3-methyl-1-methylsulfonylpiperidine
CID 164645244
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099
(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
CID 96516255
2-(3-bromopropyl)-1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 80674869
2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731203
2-ethyl-1-methylsulfonylazetidine
CID 130668579

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine (CID 80675195) is 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine?
The InChIKey is PJOMMIMWSLTFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-3-5-8(10)4-2-6-9/h8H,2-7H2,1H3.
What are the key properties of 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine?
2-(3-bromopropyl)-1-methylsulfonylpyrrolidine has a molecular weight of 270.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 80675195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).