tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate

C11H22N4O3S — CID 59191155

IUPACtert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCCNC(=S)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O3S/c1-6-12-9(19)15-14-8(16)7(2)13-10(17)18-11(3,4)5/h7H,6H2,1-5H3,(H,13,17)(H,14,16)(H2,12,15,19)/t7-/m1/s1
InChIKeyYOUZLUOCAMUMNW-SSDOTTSWSA-N
MW290.39 g/mol
LogP0.41
Rot. Bonds3

About tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate (PubChem CID 59191155) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
PubChem CID59191155
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Nametert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCCNC(=S)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O3S/c1-6-12-9(19)15-14-8(16)7(2)13-10(17)18-11(3,4)5/h7H,6H2,1-5H3,(H,13,17)(H,14,16)(H2,12,15,19)/t7-/m1/s1
InChIKeyYOUZLUOCAMUMNW-SSDOTTSWSA-N
XLogP0.41
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R)-1-oxo-1-[2-(2-propoxyethoxy)ethylamino]propan-2-yl]carbamate
CID 59067465
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
CID 57313950
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
tert-butyl N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]carbamate;ethane
CID 143423917

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate (CID 59191155) is tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate is CCNC(=S)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is YOUZLUOCAMUMNW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-6-12-9(19)15-14-8(16)7(2)13-10(17)18-11(3,4)5/h7H,6H2,1-5H3,(H,13,17)(H,14,16)(H2,12,15,19)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 290.39 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 59191155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).