(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine

C14H21NO3S — CID 7510214

IUPAC(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1ccc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H21NO3S/c1-10-5-6-11(2)14(7-10)19(16,17)15-8-12(3)18-13(4)9-15/h5-7,12-13H,8-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyPLNQNPKDRWEQQS-STQMWFEESA-N
MW283.39 g/mol
LogP2.10
Rot. Bonds2

About (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine

(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 7510214) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID7510214
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1ccc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H21NO3S/c1-10-5-6-11(2)14(7-10)19(16,17)15-8-12(3)18-13(4)9-15/h5-7,12-13H,8-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyPLNQNPKDRWEQQS-STQMWFEESA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
(2S,6S)-2,6-dimethyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 7510206
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
CID 79888974
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627500
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 103931355
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol
CID 104961479

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 7510214) is (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is PLNQNPKDRWEQQS-STQMWFEESA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-5-6-11(2)14(7-10)19(16,17)15-8-12(3)18-13(4)9-15/h5-7,12-13H,8-9H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 283.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 7510214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).