3-bromo-1-(2-propylsulfonylethyl)pyrrolidine

C9H18BrNO2S — CID 106731132

IUPAC3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
SMILESCCCS(=O)(=O)CCN1CCC(Br)C1
InChIInChI=1S/C9H18BrNO2S/c1-2-6-14(12,13)7-5-11-4-3-9(10)8-11/h9H,2-8H2,1H3
InChIKeyFTISKFRMTYOQPA-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.28
Rot. Bonds5

About 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine

3-bromo-1-(2-propylsulfonylethyl)pyrrolidine (PubChem CID 106731132) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
PubChem CID106731132
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
SMILESCCCS(=O)(=O)CCN1CCC(Br)C1
InChIInChI=1S/C9H18BrNO2S/c1-2-6-14(12,13)7-5-11-4-3-9(10)8-11/h9H,2-8H2,1H3
InChIKeyFTISKFRMTYOQPA-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731474
3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731131
4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731403
3-bromo-1-butylpyrrolidine
CID 80676410
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
CID 106731159
1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
CID 62916486
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
CID 106732690
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
CID 106728081
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine?
The IUPAC name of 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine (CID 106731132) is 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine?
The canonical SMILES for 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine is CCCS(=O)(=O)CCN1CCC(Br)C1.
What is the InChIKey of 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine?
The InChIKey is FTISKFRMTYOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-2-6-14(12,13)7-5-11-4-3-9(10)8-11/h9H,2-8H2,1H3.
What are the key properties of 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine?
3-bromo-1-(2-propylsulfonylethyl)pyrrolidine has a molecular weight of 284.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-propylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 106731132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).