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

C15H29N3O6S — CID 47082029

IUPACtert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
SMILESCC1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)CC(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)
InChIKeyLBVWDCWUGWCGOY-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.07
Rot. Bonds6

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

tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate (PubChem CID 47082029) has the molecular formula C15H29N3O6S and a molecular weight of 379.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
PubChem CID47082029
Molecular FormulaC15H29N3O6S
Molecular Weight379.48 g/mol
Exact Mass379.18
IUPAC Nametert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
SMILESCC1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)CC(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)
InChIKeyLBVWDCWUGWCGOY-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate (CID 47082029) is tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate is CC1CN(S(=O)(=O)CCNC(=O)CNC(=O)OC(C)(C)C)CC(C)O1.
What is the InChIKey of tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate?
The InChIKey is LBVWDCWUGWCGOY-UHFFFAOYSA-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).
What are the key properties of tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(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-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47082029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).