benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate

C23H28N2O5S — CID 124729399

IUPACbenzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO[C@H](CS(=O)(=O)N(Cc2ccccc2)C2CC2)C1
InChIInChI=1S/C23H28N2O5S/c26-23(30-17-20-9-5-2-6-10-20)24-13-14-29-22(16-24)18-31(27,28)25(21-11-12-21)15-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2/t22-/m0/s1
InChIKeyGBJOGQAOESBYEK-QFIPXVFZSA-N
MW444.55 g/mol
LogP3.02
Rot. Bonds8

About benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate

benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate (PubChem CID 124729399) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate
PubChem CID124729399
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Namebenzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO[C@H](CS(=O)(=O)N(Cc2ccccc2)C2CC2)C1
InChIInChI=1S/C23H28N2O5S/c26-23(30-17-20-9-5-2-6-10-20)24-13-14-29-22(16-24)18-31(27,28)25(21-11-12-21)15-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2/t22-/m0/s1
InChIKeyGBJOGQAOESBYEK-QFIPXVFZSA-N
XLogP3.02
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
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CID 14882034
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
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CID 124729039
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate
CID 124889486
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate (CID 124729399) is benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate is O=C(OCc1ccccc1)N1CCO[C@H](CS(=O)(=O)N(Cc2ccccc2)C2CC2)C1.
What is the InChIKey of benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate?
The InChIKey is GBJOGQAOESBYEK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N2O5S/c26-23(30-17-20-9-5-2-6-10-20)24-13-14-29-22(16-24)18-31(27,28)25(21-11-12-21)15-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2/t22-/m0/s1.
What are the key properties of benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate?
benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate has a molecular weight of 444.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 124729399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).