2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine

C12H24BrNO2S — CID 106731203

IUPAC2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
SMILESCC(C)S(=O)(=O)CCN1CCCC1CCCBr
InChIInChI=1S/C12H24BrNO2S/c1-11(2)17(15,16)10-9-14-8-4-6-12(14)5-3-7-13/h11-12H,3-10H2,1-2H3
InChIKeyLFVQESUCYZSRTQ-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.45
Rot. Bonds7

About 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine

2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine (PubChem CID 106731203) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
PubChem CID106731203
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC Name2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
SMILESCC(C)S(=O)(=O)CCN1CCCC1CCCBr
InChIInChI=1S/C12H24BrNO2S/c1-11(2)17(15,16)10-9-14-8-4-6-12(14)5-3-7-13/h11-12H,3-10H2,1-2H3
InChIKeyLFVQESUCYZSRTQ-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.45
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

[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
CID 84698058
2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
CID 80691753
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
CID 80675195
1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carbothioamide
CID 106724873
3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
CID 106731370
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
2-(3-bromopropyl)-1-tert-butylsulfonylpyrrolidine
CID 80675102
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
CID 63762474
2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80690357
1-[2-(3-bromopropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 80674653
tert-butyl (2S)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carboxylate
CID 103773648

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine (CID 106731203) is 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine is CC(C)S(=O)(=O)CCN1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
The InChIKey is LFVQESUCYZSRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-11(2)17(15,16)10-9-14-8-4-6-12(14)5-3-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine?
2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine has a molecular weight of 326.30 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 106731203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).