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

C14H18NO6S- — CID 2361227

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C(=O)[O-]
InChIInChI=1S/C14H19NO6S/c1-9-7-15(8-10(2)21-9)22(18,19)11-4-5-13(20-3)12(6-11)14(16)17/h4-6,9-10H,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10+
InChIKeyYJSPJLDQEQNAIU-AOOOYVTPSA-M
MW328.37 g/mol
LogP-0.14
Rot. Bonds4

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

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate (PubChem CID 2361227) has the molecular formula C14H18NO6S- and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
PubChem CID2361227
Molecular FormulaC14H18NO6S-
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C(=O)[O-]
InChIInChI=1S/C14H19NO6S/c1-9-7-15(8-10(2)21-9)22(18,19)11-4-5-13(20-3)12(6-11)14(16)17/h4-6,9-10H,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10+
InChIKeyYJSPJLDQEQNAIU-AOOOYVTPSA-M
XLogP-0.14
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 6471850
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4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
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5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
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CID 103962174
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
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CID 9160639
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate (CID 2361227) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate is COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C(=O)[O-].
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate?
The InChIKey is YJSPJLDQEQNAIU-AOOOYVTPSA-M. The full InChI is InChI=1S/C14H19NO6S/c1-9-7-15(8-10(2)21-9)22(18,19)11-4-5-13(20-3)12(6-11)14(16)17/h4-6,9-10H,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate has a molecular weight of 328.37 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate is sourced from PubChem (CID 2361227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).