tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate

C10H20N2O5S — CID 89271314

IUPACtert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate
SMILESCCCNC(=O)CS(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O5S/c1-5-6-11-8(13)7-18(15,16)12-9(14)17-10(2,3)4/h5-7H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyVJLCTSZMSJHBAJ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.37
Rot. Bonds5

About tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate

tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate (PubChem CID 89271314) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate
PubChem CID89271314
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Nametert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate
SMILESCCCNC(=O)CS(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O5S/c1-5-6-11-8(13)7-18(15,16)12-9(14)17-10(2,3)4/h5-7H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyVJLCTSZMSJHBAJ-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate
CID 112688730
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
N-propyl-2-propylsulfonylacetamide
CID 86989509
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-(4-fluorobutylsulfonyl)carbamate
CID 153002934
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid
CID 114518058
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate (CID 89271314) is tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate is CCCNC(=O)CS(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate?
The InChIKey is VJLCTSZMSJHBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-5-6-11-8(13)7-18(15,16)12-9(14)17-10(2,3)4/h5-7H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate?
tert-butyl N-[2-oxo-2-(propylamino)ethyl]sulfonylcarbamate has a molecular weight of 280.35 g/mol, XLogP of 0.37, 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-oxo-2-(propylamino)ethyl]sulfonylcarbamate is sourced from PubChem (CID 89271314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).