(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine

C12H16BrNO2S — CID 97301336

IUPAC(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
SMILESO=S(=O)(C[C@H]1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c13-10-4-6-12(7-5-10)17(15,16)9-11-3-1-2-8-14-11/h4-7,11,14H,1-3,8-9H2/t11-/m1/s1
InChIKeyWGDOWJROEUCTKV-LLVKDONJSA-N
MW318.24 g/mol
LogP2.36
Rot. Bonds3

About (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine

(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine (PubChem CID 97301336) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
PubChem CID97301336
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
SMILESO=S(=O)(C[C@H]1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c13-10-4-6-12(7-5-10)17(15,16)9-11-3-1-2-8-14-11/h4-7,11,14H,1-3,8-9H2/t11-/m1/s1
InChIKeyWGDOWJROEUCTKV-LLVKDONJSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
CID 4576617
3-(4-bromophenyl)sulfonyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]propanamide
CID 9550772
2-(2-(Phenylsulfonyl)ethyl)piperidine hydrochloride
CID 24747372
3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide
CID 3261893
4-[(4-Bromophenyl)sulfonyl]piperidine hydrochloride
CID 2761069
4-(4-Bromobenzenesulfonyl)piperidine
CID 2761070
4-(Phenylsulfonyl)piperidine hydrochloride
CID 17749803
2-(4-Bromobenzenesulfonyl)ethan-1-amine hydrochloride
CID 69014064
2-{[(4-Bromophenyl)sulfanyl]methyl}piperidine
CID 13058743
2-[(4-Bromophenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
CID 13058746
4-(Phenylsulfonyl)piperidine
CID 5190868
2-(4-Bromobenzenesulfonyl)ethan-1-amine
CID 24263891

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine (CID 97301336) is (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine is O=S(=O)(C[C@H]1CCCCN1)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine?
The InChIKey is WGDOWJROEUCTKV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-10-4-6-12(7-5-10)17(15,16)9-11-3-1-2-8-14-11/h4-7,11,14H,1-3,8-9H2/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine?
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine has a molecular weight of 318.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine is sourced from PubChem (CID 97301336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).