(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol

C15H23NO4S — CID 72905567

IUPAC(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CC[C@](C)(O)[C@H](C)C1
InChIInChI=1S/C15H23NO4S/c1-11-5-6-14(13(9-11)20-4)21(18,19)16-8-7-15(3,17)12(2)10-16/h5-6,9,12,17H,7-8,10H2,1-4H3/t12-,15+/m1/s1
InChIKeyBOXVFVIPEOEBIN-DOMZBBRYSA-N
MW313.42 g/mol
LogP1.79
Rot. Bonds3

About (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol (PubChem CID 72905567) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
PubChem CID72905567
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CC[C@](C)(O)[C@H](C)C1
InChIInChI=1S/C15H23NO4S/c1-11-5-6-14(13(9-11)20-4)21(18,19)16-8-7-15(3,17)12(2)10-16/h5-6,9,12,17H,7-8,10H2,1-4H3/t12-,15+/m1/s1
InChIKeyBOXVFVIPEOEBIN-DOMZBBRYSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-[(dimethylamino)methyl]-1-(2-methoxy-4-methylphenyl)sulfonylpiperidin-3-ol
CID 131898784
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
CID 135108128
1'-(2-methoxy-4-methylphenyl)sulfonylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 135110541
4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 133140359
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
(3S,4R)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135093155
(3aR,7aS)-3a-(methoxymethyl)-5-(2-methoxy-4-methylphenyl)sulfonyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124808067
2-methoxy-4-methylbenzenesulfonyl fluoride
CID 141209179
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol (CID 72905567) is (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol is COc1cc(C)ccc1S(=O)(=O)N1CC[C@](C)(O)[C@H](C)C1.
What is the InChIKey of (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol?
The InChIKey is BOXVFVIPEOEBIN-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-5-6-14(13(9-11)20-4)21(18,19)16-8-7-15(3,17)12(2)10-16/h5-6,9,12,17H,7-8,10H2,1-4H3/t12-,15+/m1/s1.
What are the key properties of (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol has a molecular weight of 313.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 72905567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).