benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate

C19H30N2O6S — CID 124889486

IUPACbenzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate
SMILESCC[C@H](CCO)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O6S/c1-2-16(8-10-22)12-20-28(24,25)15-18-13-21(9-11-26-18)19(23)27-14-17-6-4-3-5-7-17/h3-7,16,18,20,22H,2,8-15H2,1H3/t16-,18+/m1/s1
InChIKeyYOHYPUVTFOLTKM-AEFFLSMTSA-N
MW414.52 g/mol
LogP1.35
Rot. Bonds10

About benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate

benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate (PubChem CID 124889486) has the molecular formula C19H30N2O6S and a molecular weight of 414.52 g/mol. Its IUPAC name is benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate
PubChem CID124889486
Molecular FormulaC19H30N2O6S
Molecular Weight414.52 g/mol
Exact Mass414.18
IUPAC Namebenzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate
SMILESCC[C@H](CCO)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O6S/c1-2-16(8-10-22)12-20-28(24,25)15-18-13-21(9-11-26-18)19(23)27-14-17-6-4-3-5-7-17/h3-7,16,18,20,22H,2,8-15H2,1H3/t16-,18+/m1/s1
InChIKeyYOHYPUVTFOLTKM-AEFFLSMTSA-N
XLogP1.35
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate
CID 124729039
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CID 164672406
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate
CID 124729399
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate?
The IUPAC name of benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate (CID 124889486) is benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate is CC[C@H](CCO)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate?
The InChIKey is YOHYPUVTFOLTKM-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H30N2O6S/c1-2-16(8-10-22)12-20-28(24,25)15-18-13-21(9-11-26-18)19(23)27-14-17-6-4-3-5-7-17/h3-7,16,18,20,22H,2,8-15H2,1H3/t16-,18+/m1/s1.
What are the key properties of benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate?
benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate has a molecular weight of 414.52 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate is sourced from PubChem (CID 124889486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).