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

C14H20ClNO3S — CID 971684

IUPAC(2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)cc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-9-6-14(10(2)5-13(9)15)20(17,18)16-7-11(3)19-12(4)8-16/h5-6,11-12H,7-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyWJMNLFMWXMZTDU-RYUDHWBXSA-N
MW317.84 g/mol
LogP2.75
Rot. Bonds2

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

(2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 971684) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID971684
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name(2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)cc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-9-6-14(10(2)5-13(9)15)20(17,18)16-7-11(3)19-12(4)8-16/h5-6,11-12H,7-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyWJMNLFMWXMZTDU-RYUDHWBXSA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 971684) is (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)cc1Cl.
What is the InChIKey of (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is WJMNLFMWXMZTDU-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-9-6-14(10(2)5-13(9)15)20(17,18)16-7-11(3)19-12(4)8-16/h5-6,11-12H,7-8H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
(2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 317.84 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 971684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).