(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine

C18H21NO2S — CID 40714493

IUPAC(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H21NO2S/c1-15-6-5-13-19(14-15)22(20,21)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3/t15-/m0/s1
InChIKeyLWYUSPWIWFNLMM-HNNXBMFYSA-N
MW315.44 g/mol
LogP3.77
Rot. Bonds3

About (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine

(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine (PubChem CID 40714493) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
PubChem CID40714493
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H21NO2S/c1-15-6-5-13-19(14-15)22(20,21)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3/t15-/m0/s1
InChIKeyLWYUSPWIWFNLMM-HNNXBMFYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 69368579
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 42347051
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine?
The IUPAC name of (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine (CID 40714493) is (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine.
What is the SMILES notation for (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine?
The canonical SMILES for (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine is C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine?
The InChIKey is LWYUSPWIWFNLMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-15-6-5-13-19(14-15)22(20,21)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine?
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine has a molecular weight of 315.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine is sourced from PubChem (CID 40714493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).