tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate

C15H28N2O5S — CID 126823150

IUPACtert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate
SMILESCN(CC1CC1)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H28N2O5S/c1-15(2,3)22-14(18)17-7-8-21-13(10-17)11-23(19,20)16(4)9-12-5-6-12/h12-13H,5-11H2,1-4H3
InChIKeyGFKLOWFILLMINK-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.29
Rot. Bonds5

About tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate

tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate (PubChem CID 126823150) has the molecular formula C15H28N2O5S and a molecular weight of 348.47 g/mol. Its IUPAC name is tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate
PubChem CID126823150
Molecular FormulaC15H28N2O5S
Molecular Weight348.47 g/mol
Exact Mass348.17
IUPAC Nametert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate
SMILESCN(CC1CC1)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H28N2O5S/c1-15(2,3)22-14(18)17-7-8-21-13(10-17)11-23(19,20)16(4)9-12-5-6-12/h12-13H,5-11H2,1-4H3
InChIKeyGFKLOWFILLMINK-UHFFFAOYSA-N
XLogP1.29
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl (2S)-2-(benzylsulfonylmethyl)morpholine-4-carboxylate
CID 141474930
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456
tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
CID 155681430
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid
CID 175467976

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate (CID 126823150) is tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate is CN(CC1CC1)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate?
The InChIKey is GFKLOWFILLMINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5S/c1-15(2,3)22-14(18)17-7-8-21-13(10-17)11-23(19,20)16(4)9-12-5-6-12/h12-13H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate?
tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate has a molecular weight of 348.47 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 126823150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).