tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate

C15H29N3O6S — CID 52502622

IUPACtert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)C[C@@H](C)O1
InChIInChI=1S/C15H29N3O6S/c1-11-9-18(10-12(2)23-11)25(21,22)7-6-16-13(19)8-17-14(20)24-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)/t11-,12-/m1/s1
InChIKeyLBVWDCWUGWCGOY-VXGBXAGGSA-N
MW379.48 g/mol
LogP0.07
Rot. Bonds6

About tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate (PubChem CID 52502622) has the molecular formula C15H29N3O6S and a molecular weight of 379.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
PubChem CID52502622
Molecular FormulaC15H29N3O6S
Molecular Weight379.48 g/mol
Exact Mass379.18
IUPAC Nametert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)C[C@@H](C)O1
InChIInChI=1S/C15H29N3O6S/c1-11-9-18(10-12(2)23-11)25(21,22)7-6-16-13(19)8-17-14(20)24-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)/t11-,12-/m1/s1
InChIKeyLBVWDCWUGWCGOY-VXGBXAGGSA-N
XLogP0.07
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
CID 47082029
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
CID 95177772
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]acetamide
CID 98718909
methyl 5-acetyl-2-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55674800
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 55840923
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-N-propylacetamide
CID 47141080
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227662
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51941811
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39113661

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate (CID 52502622) is tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate is C[C@@H]1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)C[C@@H](C)O1.
What is the InChIKey of tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate?
The InChIKey is LBVWDCWUGWCGOY-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H29N3O6S/c1-11-9-18(10-12(2)23-11)25(21,22)7-6-16-13(19)8-17-14(20)24-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)(H,17,20)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate has a molecular weight of 379.48 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 52502622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).