[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol

C15H23NO4S — CID 104961498

IUPAC[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C15H23NO4S/c1-10-5-14(9-17)6-15(13(10)4)21(18,19)16-7-11(2)20-12(3)8-16/h5-6,11-12,17H,7-9H2,1-4H3/t11-,12+
InChIKeyDFXQTOAOVKENGE-TXEJJXNPSA-N
MW313.42 g/mol
LogP1.59
Rot. Bonds3

About [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol

[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol (PubChem CID 104961498) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
PubChem CID104961498
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C15H23NO4S/c1-10-5-14(9-17)6-15(13(10)4)21(18,19)16-7-11(2)20-12(3)8-16/h5-6,11-12,17H,7-9H2,1-4H3/t11-,12+
InChIKeyDFXQTOAOVKENGE-TXEJJXNPSA-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 [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol with MolForge

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Related Compounds

[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
(2S,6R)-4-[3-bromo-5-(chloromethyl)-2-methylphenyl]sulfonyl-2,6-dimethylmorpholine
CID 104961513
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-dimethylphenyl]methanol
CID 104961479
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3,4-dimethylpyrrolidine
CID 79184083
[3-bromo-4-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanol
CID 81480778
[4-bromo-3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-5-methylphenyl]methanol
CID 114363195
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
(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
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211

Frequently Asked Questions

What is the IUPAC name of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol?
The IUPAC name of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol (CID 104961498) is [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol.
What is the SMILES notation for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol?
The canonical SMILES for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol is Cc1cc(CO)cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol?
The InChIKey is DFXQTOAOVKENGE-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10-5-14(9-17)6-15(13(10)4)21(18,19)16-7-11(2)20-12(3)8-16/h5-6,11-12,17H,7-9H2,1-4H3/t11-,12+.
What are the key properties of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol?
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-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 [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol is sourced from PubChem (CID 104961498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).