1-(bromomethylsulfonyl)-2-propylpiperidine

C9H18BrNO2S — CID 83085891

IUPAC1-(bromomethylsulfonyl)-2-propylpiperidine
SMILESCCCC1CCCCN1S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO2S/c1-2-5-9-6-3-4-7-11(9)14(12,13)8-10/h9H,2-8H2,1H3
InChIKeyBYXCZSXJZYUDFQ-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.32
Rot. Bonds4

About 1-(bromomethylsulfonyl)-2-propylpiperidine

1-(bromomethylsulfonyl)-2-propylpiperidine (PubChem CID 83085891) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-2-propylpiperidine.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-2-propylpiperidine
PubChem CID83085891
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name1-(bromomethylsulfonyl)-2-propylpiperidine
SMILESCCCC1CCCCN1S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO2S/c1-2-5-9-6-3-4-7-11(9)14(12,13)8-10/h9H,2-8H2,1H3
InChIKeyBYXCZSXJZYUDFQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.32
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-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
2-(2-bromoethyl)-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82843290
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate
CID 83053832
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050
2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine
CID 80675919
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
CID 64591583
2-(bromomethyl)-1-(cyclopropylmethylsulfonyl)azepane
CID 116639693

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-2-propylpiperidine?
The IUPAC name of 1-(bromomethylsulfonyl)-2-propylpiperidine (CID 83085891) is 1-(bromomethylsulfonyl)-2-propylpiperidine.
What is the SMILES notation for 1-(bromomethylsulfonyl)-2-propylpiperidine?
The canonical SMILES for 1-(bromomethylsulfonyl)-2-propylpiperidine is CCCC1CCCCN1S(=O)(=O)CBr.
What is the InChIKey of 1-(bromomethylsulfonyl)-2-propylpiperidine?
The InChIKey is BYXCZSXJZYUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-2-5-9-6-3-4-7-11(9)14(12,13)8-10/h9H,2-8H2,1H3.
What are the key properties of 1-(bromomethylsulfonyl)-2-propylpiperidine?
1-(bromomethylsulfonyl)-2-propylpiperidine has a molecular weight of 284.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-2-propylpiperidine is sourced from PubChem (CID 83085891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).