(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine

C15H23NO3S — CID 95739230

IUPAC(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
SMILESCOCc1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C15H23NO3S/c1-12-7-13(2)10-16(9-12)20(17,18)15-6-4-5-14(8-15)11-19-3/h4-6,8,12-13H,7,9-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyYPICBEZICRMRPM-STQMWFEESA-N
MW297.42 g/mol
LogP2.50
Rot. Bonds4

About (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine

(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine (PubChem CID 95739230) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
PubChem CID95739230
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
SMILESCOCc1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C15H23NO3S/c1-12-7-13(2)10-16(9-12)20(17,18)15-6-4-5-14(8-15)11-19-3/h4-6,8,12-13H,7,9-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyYPICBEZICRMRPM-STQMWFEESA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105911
(3R,5R)-3,5-dimethyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756868
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
(3,4-dimethoxyphenyl)methyl 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 25388701
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977844
(3aS,7aR)-1-[3-(methoxymethyl)phenyl]sulfonyl-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 166255301
(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 136580990
[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]methanol
CID 103541145
pyridin-3-ylmethyl 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 25354150
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652
3-[1-[3-(methoxymethyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992775
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine (CID 95739230) is (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine is COCc1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1.
What is the InChIKey of (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
The InChIKey is YPICBEZICRMRPM-STQMWFEESA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-7-13(2)10-16(9-12)20(17,18)15-6-4-5-14(8-15)11-19-3/h4-6,8,12-13H,7,9-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 95739230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).