(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine

C19H23NO2S — CID 902590

IUPAC(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H23NO2S/c1-15-12-16(2)14-20(13-15)23(21,22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyZAMWKEDVTQOREE-HZPDHXFCSA-N
MW329.47 g/mol
LogP4.02
Rot. Bonds3

About (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine

(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine (PubChem CID 902590) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
PubChem CID902590
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H23NO2S/c1-15-12-16(2)14-20(13-15)23(21,22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyZAMWKEDVTQOREE-HZPDHXFCSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine?
The IUPAC name of (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine (CID 902590) is (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine.
What is the SMILES notation for (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine?
The canonical SMILES for (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine?
The InChIKey is ZAMWKEDVTQOREE-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-12-16(2)14-20(13-15)23(21,22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine?
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine has a molecular weight of 329.47 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine is sourced from PubChem (CID 902590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).