(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine

C18H21NO2S — CID 134848114

IUPAC(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO2S/c1-15-9-11-18(12-10-15)22(20,21)19-13-5-8-17(14-19)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3/t17-/m0/s1
InChIKeyMMHWXGQIKXILSX-KRWDZBQOSA-N
MW315.44 g/mol
LogP3.56
Rot. Bonds3

About (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine

(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine (PubChem CID 134848114) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
PubChem CID134848114
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO2S/c1-15-9-11-18(12-10-15)22(20,21)19-13-5-8-17(14-19)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3/t17-/m0/s1
InChIKeyMMHWXGQIKXILSX-KRWDZBQOSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686303
N,N-diethyl-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686308
2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 24862857
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
N-[(2S)-butan-2-yl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51413813
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 102167204
N-[(1R,2R)-2-methylcyclohexyl]-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51716707
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
methyl 4-(3-phenylazepan-1-yl)sulfonylbenzoate
CID 90608691
4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
CID 62133605
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922
1-(4-methoxy-3-methylphenyl)sulfonyl-3-phenylazepane
CID 90608635

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine?
The IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine (CID 134848114) is (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine.
What is the SMILES notation for (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine?
The canonical SMILES for (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine is Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine?
The InChIKey is MMHWXGQIKXILSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-15-9-11-18(12-10-15)22(20,21)19-13-5-8-17(14-19)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine?
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine has a molecular weight of 315.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine is sourced from PubChem (CID 134848114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).