tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate

C25H26N2O2S — CID 143862681

IUPACtert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate
SMILESCC(N=C1c2ccccc2-c2ccccc21)C(NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C25H26N2O2S/c1-16(22(21-14-9-15-30-21)27-24(28)29-25(2,3)4)26-23-19-12-7-5-10-17(19)18-11-6-8-13-20(18)23/h5-16,22H,1-4H3,(H,27,28)
InChIKeyIRFYWUBFQMNAGM-UHFFFAOYSA-N
MW418.56 g/mol
LogP6.22
Rot. Bonds4

About tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate

tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate (PubChem CID 143862681) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate
PubChem CID143862681
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Nametert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate
SMILESCC(N=C1c2ccccc2-c2ccccc21)C(NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C25H26N2O2S/c1-16(22(21-14-9-15-30-21)27-24(28)29-25(2,3)4)26-23-19-12-7-5-10-17(19)18-11-6-8-13-20(18)23/h5-16,22H,1-4H3,(H,27,28)
InChIKeyIRFYWUBFQMNAGM-UHFFFAOYSA-N
XLogP6.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-ylpropyl]carbamate
CID 46201421
tert-butyl 2-(fluoren-9-ylideneamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 58202499
[(1S,2S)-1-(fluoren-9-ylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-methoxy-oxophosphanium
CID 58202513
tert-butyl (2S,3S)-2-(fluoren-9-ylideneamino)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102575578
tert-butyl N-[2-di(propan-2-yloxy)phosphoryl-2-(9H-fluoren-9-ylimino)-1-thiophen-2-ylethyl]carbamate
CID 123201172
tert-butyl N-[2-(dimethylamino)-2-oxo-1-thiophen-2-ylethyl]carbamate
CID 68555774
tert-butyl N-(1,3-dihydroxy-1-thiophen-2-ylpropan-2-yl)carbamate
CID 75586810
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389
thiophen-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 56997717

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate (CID 143862681) is tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate is CC(N=C1c2ccccc2-c2ccccc21)C(NC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate?
The InChIKey is IRFYWUBFQMNAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-16(22(21-14-9-15-30-21)27-24(28)29-25(2,3)4)26-23-19-12-7-5-10-17(19)18-11-6-8-13-20(18)23/h5-16,22H,1-4H3,(H,27,28).
What are the key properties of tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate?
tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate has a molecular weight of 418.56 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(fluoren-9-ylideneamino)-1-thiophen-2-ylpropyl]carbamate is sourced from PubChem (CID 143862681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).