benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate

C18H26N2O7S — CID 124729039

IUPACbenzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate
SMILESCOC(=O)[C@H](C)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C18H26N2O7S/c1-14(17(21)25-2)10-19-28(23,24)13-16-11-20(8-9-26-16)18(22)27-12-15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyFOQQPKPGDJXBFZ-ZBFHGGJFSA-N
MW414.48 g/mol
LogP0.75
Rot. Bonds8

About benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate

benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate (PubChem CID 124729039) has the molecular formula C18H26N2O7S and a molecular weight of 414.48 g/mol. Its IUPAC name is benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate
PubChem CID124729039
Molecular FormulaC18H26N2O7S
Molecular Weight414.48 g/mol
Exact Mass414.15
IUPAC Namebenzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate
SMILESCOC(=O)[C@H](C)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C18H26N2O7S/c1-14(17(21)25-2)10-19-28(23,24)13-16-11-20(8-9-26-16)18(22)27-12-15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyFOQQPKPGDJXBFZ-ZBFHGGJFSA-N
XLogP0.75
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
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CID 124729399
benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
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benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254776

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate?
The IUPAC name of benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate (CID 124729039) is benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate is COC(=O)[C@H](C)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate?
The InChIKey is FOQQPKPGDJXBFZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H26N2O7S/c1-14(17(21)25-2)10-19-28(23,24)13-16-11-20(8-9-26-16)18(22)27-12-15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate?
benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate has a molecular weight of 414.48 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate is sourced from PubChem (CID 124729039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).