3-bromo-1-cyclopropylsulfonylpiperidine

C8H14BrNO2S — CID 80677139

IUPAC3-bromo-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCCC(Br)C1
InChIInChI=1S/C8H14BrNO2S/c9-7-2-1-5-10(6-7)13(11,12)8-3-4-8/h7-8H,1-6H2
InChIKeyPGGCQMJSCWZPJV-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.34
Rot. Bonds2

About 3-bromo-1-cyclopropylsulfonylpiperidine

3-bromo-1-cyclopropylsulfonylpiperidine (PubChem CID 80677139) has the molecular formula C8H14BrNO2S and a molecular weight of 268.18 g/mol. Its IUPAC name is 3-bromo-1-cyclopropylsulfonylpiperidine.

Molecular Properties

Compound Name3-bromo-1-cyclopropylsulfonylpiperidine
PubChem CID80677139
Molecular FormulaC8H14BrNO2S
Molecular Weight268.18 g/mol
Exact Mass266.99
IUPAC Name3-bromo-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCCC(Br)C1
InChIInChI=1S/C8H14BrNO2S/c9-7-2-1-5-10(6-7)13(11,12)8-3-4-8/h7-8H,1-6H2
InChIKeyPGGCQMJSCWZPJV-UHFFFAOYSA-N
XLogP1.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.34
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-bromo-1-piperidin-1-ylsulfonylpiperidine
CID 80676576
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
3-bromo-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82842490
3-bromo-1-(2-methoxyethylsulfonyl)piperidine
CID 80675894
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
methyl N-(3-bromopiperidin-1-yl)sulfonylcarbamate
CID 114466569
3-bromo-1-(4-methylphenyl)sulfonylpiperidine
CID 80676007
3-bromo-1-(2-ethoxyethylsulfonyl)piperidine
CID 80677126
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
4-bromo-1-cyclohexylsulfonyl-3-methylpiperidine
CID 114683695
1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine
CID 115277187

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclopropylsulfonylpiperidine?
The IUPAC name of 3-bromo-1-cyclopropylsulfonylpiperidine (CID 80677139) is 3-bromo-1-cyclopropylsulfonylpiperidine.
What is the SMILES notation for 3-bromo-1-cyclopropylsulfonylpiperidine?
The canonical SMILES for 3-bromo-1-cyclopropylsulfonylpiperidine is O=S(=O)(C1CC1)N1CCCC(Br)C1.
What is the InChIKey of 3-bromo-1-cyclopropylsulfonylpiperidine?
The InChIKey is PGGCQMJSCWZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2S/c9-7-2-1-5-10(6-7)13(11,12)8-3-4-8/h7-8H,1-6H2.
What are the key properties of 3-bromo-1-cyclopropylsulfonylpiperidine?
3-bromo-1-cyclopropylsulfonylpiperidine has a molecular weight of 268.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopropylsulfonylpiperidine is sourced from PubChem (CID 80677139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).