1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine

C12H23ClN2O2S — CID 63400473

IUPAC1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)N1CCCC1CCCCl
InChIInChI=1S/C12H23ClN2O2S/c13-8-4-6-12-7-5-11-15(12)18(16,17)14-9-2-1-3-10-14/h12H,1-11H2
InChIKeyHXLNVBRBQQPILE-UHFFFAOYSA-N
MW294.85 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine

1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine (PubChem CID 63400473) has the molecular formula C12H23ClN2O2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
PubChem CID63400473
Molecular FormulaC12H23ClN2O2S
Molecular Weight294.85 g/mol
Exact Mass294.12
IUPAC Name1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)N1CCCC1CCCCl
InChIInChI=1S/C12H23ClN2O2S/c13-8-4-6-12-7-5-11-15(12)18(16,17)14-9-2-1-3-10-14/h12H,1-11H2
InChIKeyHXLNVBRBQQPILE-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 52.20
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-[2-(3-bromopropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 80674653
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
CID 63400591
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
CID 63400986
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
CID 55185745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine?
The IUPAC name of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine (CID 63400473) is 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine?
The canonical SMILES for 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine is O=S(=O)(N1CCCCC1)N1CCCC1CCCCl.
What is the InChIKey of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine?
The InChIKey is HXLNVBRBQQPILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2S/c13-8-4-6-12-7-5-11-15(12)18(16,17)14-9-2-1-3-10-14/h12H,1-11H2.
What are the key properties of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine?
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine has a molecular weight of 294.85 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine is sourced from PubChem (CID 63400473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).