(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine

C15H22ClNO3S — CID 7314523

IUPAC(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C15H22ClNO3S/c1-10-5-11(2)9-17(8-10)21(18,19)15-7-13(16)12(3)6-14(15)20-4/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyDWEUXORARCXTKH-GHMZBOCLSA-N
MW331.87 g/mol
LogP3.32
Rot. Bonds3

About (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine

(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 7314523) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID7314523
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C15H22ClNO3S/c1-10-5-11(2)9-17(8-10)21(18,19)15-7-13(16)12(3)6-14(15)20-4/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyDWEUXORARCXTKH-GHMZBOCLSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 27244442
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2238311
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 25248844
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
(3R,5R)-1-(2-methoxy-4-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 39618064
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 40793380

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine (CID 7314523) is (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine is COc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is DWEUXORARCXTKH-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-10-5-11(2)9-17(8-10)21(18,19)15-7-13(16)12(3)6-14(15)20-4/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 331.87 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 7314523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).