2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine

C8H16BrNO2S — CID 80667633

IUPAC2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1CBr
InChIInChI=1S/C8H16BrNO2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyFTVCFRWOSLOMGX-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.58
Rot. Bonds3

About 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine

2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 80667633) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine
PubChem CID80667633
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1CBr
InChIInChI=1S/C8H16BrNO2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyFTVCFRWOSLOMGX-UHFFFAOYSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine (CID 80667633) is 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is FTVCFRWOSLOMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine?
2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 270.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 80667633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).