1-(bromomethylsulfonyl)-3-ethylpiperidine

C8H16BrNO2S — CID 83093383

IUPAC1-(bromomethylsulfonyl)-3-ethylpiperidine
SMILESCCC1CCCN(S(=O)(=O)CBr)C1
InChIInChI=1S/C8H16BrNO2S/c1-2-8-4-3-5-10(6-8)13(11,12)7-9/h8H,2-7H2,1H3
InChIKeyIBIRWJKUWSMKFK-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.79
Rot. Bonds3

About 1-(bromomethylsulfonyl)-3-ethylpiperidine

1-(bromomethylsulfonyl)-3-ethylpiperidine (PubChem CID 83093383) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-3-ethylpiperidine.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-3-ethylpiperidine
PubChem CID83093383
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name1-(bromomethylsulfonyl)-3-ethylpiperidine
SMILESCCC1CCCN(S(=O)(=O)CBr)C1
InChIInChI=1S/C8H16BrNO2S/c1-2-8-4-3-5-10(6-8)13(11,12)7-9/h8H,2-7H2,1H3
InChIKeyIBIRWJKUWSMKFK-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.79
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-ethyl-1-propan-2-ylsulfonylpiperidine
CID 59266027
1-(bromomethylsulfonyl)-3-propoxypiperidine
CID 83086360
3-(bromomethylsulfonyl)-8-oxa-3-azabicyclo[5.1.0]octane
CID 117071009
(1R,7R)-3-(bromomethylsulfonyl)-8-oxa-3-azabicyclo[5.1.0]octane
CID 98168050
ethane;3-ethyl-1-methylpiperidine
CID 142833851
2-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 43430409
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
CID 50847725
3-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 80676287
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-(bromomethylsulfonyl)-4-tert-butylazepane
CID 83086079

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-3-ethylpiperidine?
The IUPAC name of 1-(bromomethylsulfonyl)-3-ethylpiperidine (CID 83093383) is 1-(bromomethylsulfonyl)-3-ethylpiperidine.
What is the SMILES notation for 1-(bromomethylsulfonyl)-3-ethylpiperidine?
The canonical SMILES for 1-(bromomethylsulfonyl)-3-ethylpiperidine is CCC1CCCN(S(=O)(=O)CBr)C1.
What is the InChIKey of 1-(bromomethylsulfonyl)-3-ethylpiperidine?
The InChIKey is IBIRWJKUWSMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-2-8-4-3-5-10(6-8)13(11,12)7-9/h8H,2-7H2,1H3.
What are the key properties of 1-(bromomethylsulfonyl)-3-ethylpiperidine?
1-(bromomethylsulfonyl)-3-ethylpiperidine has a molecular weight of 270.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-3-ethylpiperidine is sourced from PubChem (CID 83093383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).