2-(bromomethyl)-1-propylsulfonylpyrrolidine

C8H16BrNO2S — CID 74554979

IUPAC2-(bromomethyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1CBr
InChIInChI=1S/C8H16BrNO2S/c1-2-6-13(11,12)10-5-3-4-8(10)7-9/h8H,2-7H2,1H3
InChIKeyLMJDILPKXQZCJM-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.59
Rot. Bonds4

About 2-(bromomethyl)-1-propylsulfonylpyrrolidine

2-(bromomethyl)-1-propylsulfonylpyrrolidine (PubChem CID 74554979) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-(bromomethyl)-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-propylsulfonylpyrrolidine
PubChem CID74554979
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name2-(bromomethyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1CBr
InChIInChI=1S/C8H16BrNO2S/c1-2-6-13(11,12)10-5-3-4-8(10)7-9/h8H,2-7H2,1H3
InChIKeyLMJDILPKXQZCJM-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

(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine
CID 80675919
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
2-(bromomethyl)-1-(cyclopropylmethylsulfonyl)azepane
CID 116639693
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
CID 64591583

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-propylsulfonylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-propylsulfonylpyrrolidine (CID 74554979) is 2-(bromomethyl)-1-propylsulfonylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-propylsulfonylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-propylsulfonylpyrrolidine?
The InChIKey is LMJDILPKXQZCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-2-6-13(11,12)10-5-3-4-8(10)7-9/h8H,2-7H2,1H3.
What are the key properties of 2-(bromomethyl)-1-propylsulfonylpyrrolidine?
2-(bromomethyl)-1-propylsulfonylpyrrolidine 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-(bromomethyl)-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 74554979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).