[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol

C15H23NO4S — CID 104961479

IUPAC[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol
SMILESCc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1CO
InChIInChI=1S/C15H23NO4S/c1-10-5-11(2)15(6-14(10)9-17)21(18,19)16-7-12(3)20-13(4)8-16/h5-6,12-13,17H,7-9H2,1-4H3/t12-,13+
InChIKeyLNERVKIQLXLAPA-BETUJISGSA-N
MW313.42 g/mol
LogP1.59
Rot. Bonds3

About [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol

[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol (PubChem CID 104961479) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol.

Molecular Properties

Compound Name[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol
PubChem CID104961479
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol
SMILESCc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1CO
InChIInChI=1S/C15H23NO4S/c1-10-5-11(2)15(6-14(10)9-17)21(18,19)16-7-12(3)20-13(4)8-16/h5-6,12-13,17H,7-9H2,1-4H3/t12-,13+
InChIKeyLNERVKIQLXLAPA-BETUJISGSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 103931355
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
CID 110210650
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863

Frequently Asked Questions

What is the IUPAC name of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol?
The IUPAC name of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol (CID 104961479) is [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol.
What is the SMILES notation for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol?
The canonical SMILES for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol is Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1CO.
What is the InChIKey of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol?
The InChIKey is LNERVKIQLXLAPA-BETUJISGSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10-5-11(2)15(6-14(10)9-17)21(18,19)16-7-12(3)20-13(4)8-16/h5-6,12-13,17H,7-9H2,1-4H3/t12-,13+.
What are the key properties of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol?
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol is sourced from PubChem (CID 104961479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).