2-(3-chloropropyl)-1-propylsulfonylpyrrolidine

C10H20ClNO2S — CID 63400983

IUPAC2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-2-9-15(13,14)12-8-4-6-10(12)5-3-7-11/h10H,2-9H2,1H3
InChIKeyUERUCURGDQIUGX-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds6

About 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine

2-(3-chloropropyl)-1-propylsulfonylpyrrolidine (PubChem CID 63400983) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
PubChem CID63400983
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-2-9-15(13,14)12-8-4-6-10(12)5-3-7-11/h10H,2-9H2,1H3
InChIKeyUERUCURGDQIUGX-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.21
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

3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
CID 63400986
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473
2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine (CID 63400983) is 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine?
The InChIKey is UERUCURGDQIUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-2-9-15(13,14)12-8-4-6-10(12)5-3-7-11/h10H,2-9H2,1H3.
What are the key properties of 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine?
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine has a molecular weight of 253.79 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 63400983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).