tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate

C10H20N2O5S — CID 47451849

IUPACtert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)17-9(14)12-7-8(13)11-5-6-18(4,15)16/h5-7H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyXCKLLGLBERWLEQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.33
Rot. Bonds5

About tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate

tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate (PubChem CID 47451849) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
PubChem CID47451849
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Nametert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)17-9(14)12-7-8(13)11-5-6-18(4,15)16/h5-7H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyXCKLLGLBERWLEQ-UHFFFAOYSA-N
XLogP-0.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
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tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
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tert-butyl N-[2-(but-3-ynylamino)-2-oxoethyl]carbamate
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tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
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CID 91827965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate (CID 47451849) is tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCS(C)(=O)=O.
What is the InChIKey of tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate?
The InChIKey is XCKLLGLBERWLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-10(2,3)17-9(14)12-7-8(13)11-5-6-18(4,15)16/h5-7H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate has a molecular weight of 280.35 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 47451849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).