(3R)-1-benzhydryl-3-methylsulfonylpiperidine

C19H23NO2S — CID 125141980

IUPAC(3R)-1-benzhydryl-3-methylsulfonylpiperidine
SMILESCS(=O)(=O)[C@@H]1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23NO2S/c1-23(21,22)18-13-8-14-20(15-18)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-/m1/s1
InChIKeyWRZUGQKRJQYIHS-GOSISDBHSA-N
MW329.47 g/mol
LogP3.29
Rot. Bonds4

About (3R)-1-benzhydryl-3-methylsulfonylpiperidine

(3R)-1-benzhydryl-3-methylsulfonylpiperidine (PubChem CID 125141980) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (3R)-1-benzhydryl-3-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-1-benzhydryl-3-methylsulfonylpiperidine
PubChem CID125141980
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(3R)-1-benzhydryl-3-methylsulfonylpiperidine
SMILESCS(=O)(=O)[C@@H]1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23NO2S/c1-23(21,22)18-13-8-14-20(15-18)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-/m1/s1
InChIKeyWRZUGQKRJQYIHS-GOSISDBHSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzhydryl-3-ethylpiperidine
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1-(1-benzhydrylpyrrolidin-3-yl)ethanesulfonic acid
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ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate
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1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
CID 21183788
1-[methylsulfonyl(phenyl)methyl]azetidine
CID 172757000
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
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CID 21183789
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzhydryl-3-methylsulfonylpiperidine?
The IUPAC name of (3R)-1-benzhydryl-3-methylsulfonylpiperidine (CID 125141980) is (3R)-1-benzhydryl-3-methylsulfonylpiperidine.
What is the SMILES notation for (3R)-1-benzhydryl-3-methylsulfonylpiperidine?
The canonical SMILES for (3R)-1-benzhydryl-3-methylsulfonylpiperidine is CS(=O)(=O)[C@@H]1CCCN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-benzhydryl-3-methylsulfonylpiperidine?
The InChIKey is WRZUGQKRJQYIHS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-23(21,22)18-13-8-14-20(15-18)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-benzhydryl-3-methylsulfonylpiperidine?
(3R)-1-benzhydryl-3-methylsulfonylpiperidine has a molecular weight of 329.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzhydryl-3-methylsulfonylpiperidine is sourced from PubChem (CID 125141980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).