1-(benzylsulfonylmethyl)piperidine

C13H19NO2S — CID 22922289

IUPAC1-(benzylsulfonylmethyl)piperidine
SMILESO=S(=O)(Cc1ccccc1)CN1CCCCC1
InChIInChI=1S/C13H19NO2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyQSPNRWTXCIGTPX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.04
Rot. Bonds4

About 1-(benzylsulfonylmethyl)piperidine

1-(benzylsulfonylmethyl)piperidine (PubChem CID 22922289) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(benzylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name1-(benzylsulfonylmethyl)piperidine
PubChem CID22922289
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(benzylsulfonylmethyl)piperidine
SMILESO=S(=O)(Cc1ccccc1)CN1CCCCC1
InChIInChI=1S/C13H19NO2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyQSPNRWTXCIGTPX-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylazepane
CID 10954328
1-(3-benzylsulfonylpropyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111417211
1-benzyl-4-(benzylsulfonylmethyl)piperidine
CID 18919882
2-benzylsulfonyl-1-cyclohexylethanone
CID 104756083
(2S)-2-(benzylsulfonylmethyl)-1-methylpyrrolidine
CID 174401893
1-benzylsulfonylazepan-2-amine
CID 64560148
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
4-(benzylsulfonylmethyl)benzoic acid
CID 43444416
1,5,9-tris(benzylsulfonyl)-3-methylidene-1,5,9-triazacyclododecane
CID 140984157
N-benzylpiperidine-1-sulfonamide
CID 2989594
1-benzylpyrrolidine;propane
CID 143692089
benzylsulfonylmethyl(oxo)sulfanium;hydrochloride
CID 173414303

Frequently Asked Questions

What is the IUPAC name of 1-(benzylsulfonylmethyl)piperidine?
The IUPAC name of 1-(benzylsulfonylmethyl)piperidine (CID 22922289) is 1-(benzylsulfonylmethyl)piperidine.
What is the SMILES notation for 1-(benzylsulfonylmethyl)piperidine?
The canonical SMILES for 1-(benzylsulfonylmethyl)piperidine is O=S(=O)(Cc1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-(benzylsulfonylmethyl)piperidine?
The InChIKey is QSPNRWTXCIGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 1-(benzylsulfonylmethyl)piperidine?
1-(benzylsulfonylmethyl)piperidine has a molecular weight of 253.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylsulfonylmethyl)piperidine is sourced from PubChem (CID 22922289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).