tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate

C13H20N2O3S — CID 138483385

IUPACtert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
SMILESCNC(=O)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)18-12(17)15-10(11(16)14-4)8-9-6-5-7-19-9/h5-7,10H,8H2,1-4H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyHYBBDYOYWPQMJV-JTQLQIEISA-N
MW284.38 g/mol
LogP1.93
Rot. Bonds4

About tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate (PubChem CID 138483385) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
PubChem CID138483385
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nametert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
SMILESCNC(=O)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)18-12(17)15-10(11(16)14-4)8-9-6-5-7-19-9/h5-7,10H,8H2,1-4H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyHYBBDYOYWPQMJV-JTQLQIEISA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoate
CID 165439016
tert-butyl N-(1-chloro-2-thiophen-2-ylethyl)carbamate
CID 70494675
tert-butyl N-[(2R)-1-(dipentylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid
CID 67871332
tert-butyl N-[(2R,3R)-4-chloro-3-hydroxy-1-thiophen-2-ylbutan-2-yl]carbamate
CID 70308526
tert-butyl N-[(2S)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
CID 67236225
tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate
CID 67508736
ethyl (2S)-2-[[(2S)-3-[3,5-bis(2-hydroxyethylsulfanyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-thiophen-2-ylpropanoate
CID 164855449
tert-butyl N-[(2R)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamate
CID 140616777
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(thiophen-2-ylmethoxy)phenyl]propanoic acid
CID 170881667
tert-butyl N-[(2R)-3-methyl-1-[[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 10937708
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate (CID 138483385) is tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate is CNC(=O)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
The InChIKey is HYBBDYOYWPQMJV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)18-12(17)15-10(11(16)14-4)8-9-6-5-7-19-9/h5-7,10H,8H2,1-4H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate has a molecular weight of 284.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 138483385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).