tert-butyl N-aminocarbamate;thiophene

C9H16N2O2S — CID 174567348

IUPACtert-butyl N-aminocarbamate;thiophene
SMILESCC(C)(C)OC(=O)NN.c1ccsc1
InChIInChI=1S/C5H12N2O2.C4H4S/c1-5(2,3)9-4(8)7-6;1-2-4-5-3-1/h6H2,1-3H3,(H,7,8);1-4H
InChIKeyAFLLJURXBZAATN-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.13
Rot. Bonds

About tert-butyl N-aminocarbamate;thiophene

tert-butyl N-aminocarbamate;thiophene (PubChem CID 174567348) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is tert-butyl N-aminocarbamate;thiophene.

Molecular Properties

Compound Nametert-butyl N-aminocarbamate;thiophene
PubChem CID174567348
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nametert-butyl N-aminocarbamate;thiophene
SMILESCC(C)(C)OC(=O)NN.c1ccsc1
InChIInChI=1S/C5H12N2O2.C4H4S/c1-5(2,3)9-4(8)7-6;1-2-4-5-3-1/h6H2,1-3H3,(H,7,8);1-4H
InChIKeyAFLLJURXBZAATN-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;tert-butyl N-aminocarbamate
CID 174608013
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
tert-butyl N-aminocarbamate;nitro benzoate
CID 174729890
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
tert-butyl N-aminocarbamoperoxoate
CID 87183092
tert-butyl N-(bromoamino)carbamate
CID 91402746
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-aminocarbamate;thiophene?
The IUPAC name of tert-butyl N-aminocarbamate;thiophene (CID 174567348) is tert-butyl N-aminocarbamate;thiophene.
What is the SMILES notation for tert-butyl N-aminocarbamate;thiophene?
The canonical SMILES for tert-butyl N-aminocarbamate;thiophene is CC(C)(C)OC(=O)NN.c1ccsc1.
What is the InChIKey of tert-butyl N-aminocarbamate;thiophene?
The InChIKey is AFLLJURXBZAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C4H4S/c1-5(2,3)9-4(8)7-6;1-2-4-5-3-1/h6H2,1-3H3,(H,7,8);1-4H.
What are the key properties of tert-butyl N-aminocarbamate;thiophene?
tert-butyl N-aminocarbamate;thiophene has a molecular weight of 216.31 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-aminocarbamate;thiophene is sourced from PubChem (CID 174567348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).