(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine

C15H23NO3S — CID 7177601

IUPAC(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1C
InChIInChI=1S/C15H23NO3S/c1-10-6-7-15(14(5)13(10)4)20(17,18)16-8-11(2)19-12(3)9-16/h6-7,11-12H,8-9H2,1-5H3/t11-,12-/m0/s1
InChIKeySZITVLJYHWEXED-RYUDHWBXSA-N
MW297.42 g/mol
LogP2.41
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine

(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine (PubChem CID 7177601) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
PubChem CID7177601
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1C
InChIInChI=1S/C15H23NO3S/c1-10-6-7-15(14(5)13(10)4)20(17,18)16-8-11(2)19-12(3)9-16/h6-7,11-12H,8-9H2,1-5H3/t11-,12-/m0/s1
InChIKeySZITVLJYHWEXED-RYUDHWBXSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
2,6-dimethyl-4-(2-methyl-3-nitrophenyl)sulfonylmorpholine
CID 42950856
(2S,6R)-4-[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylnaphthalen-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 27151755
(2S,6S)-2,6-dimethyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 7510206
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 103931355
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
CID 79888974

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine (CID 7177601) is (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1C.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine?
The InChIKey is SZITVLJYHWEXED-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-6-7-15(14(5)13(10)4)20(17,18)16-8-11(2)19-12(3)9-16/h6-7,11-12H,8-9H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine?
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine has a molecular weight of 297.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 7177601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).