tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate

C13H22N2O2S — CID 83693955

IUPACtert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CCN)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-12(2,3)17-11(16)15-13(4,7-8-14)10-6-5-9-18-10/h5-6,9H,7-8,14H2,1-4H3,(H,15,16)
InChIKeyRUIDGXGTWAAWAM-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate

tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate (PubChem CID 83693955) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate
PubChem CID83693955
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nametert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CCN)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-12(2,3)17-11(16)15-13(4,7-8-14)10-6-5-9-18-10/h5-6,9H,7-8,14H2,1-4H3,(H,15,16)
InChIKeyRUIDGXGTWAAWAM-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate
CID 83693340
tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-thiophen-2-ylpropan-2-yl)carbamate
CID 101410381
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate
CID 67508736
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
CID 95933406
tert-butyl 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanoate
CID 110012268
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[2-[[N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111581497
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate (CID 83693955) is tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C)(CCN)c1cccs1.
What is the InChIKey of tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate?
The InChIKey is RUIDGXGTWAAWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-12(2,3)17-11(16)15-13(4,7-8-14)10-6-5-9-18-10/h5-6,9H,7-8,14H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate?
tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate has a molecular weight of 270.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate is sourced from PubChem (CID 83693955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).