tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate

C12H18N2O2S — CID 8972522

IUPACtert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-5-9(10-7-6-8-17-10)13-14-11(15)16-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)/b13-9-
InChIKeyPUYHUQIDNRDNMV-LCYFTJDESA-N
MW254.35 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate

tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate (PubChem CID 8972522) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
PubChem CID8972522
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nametert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-5-9(10-7-6-8-17-10)13-14-11(15)16-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)/b13-9-
InChIKeyPUYHUQIDNRDNMV-LCYFTJDESA-N
XLogP3.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972617
tert-butyl N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]carbamate
CID 3131610
tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
CID 9074587
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
CID 5399730
tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate
CID 67508736
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744
tert-butyl N-[(2R)-1-hydroxy-4-oxo-4-thiophen-2-ylbutan-2-yl]carbamate
CID 71508403
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
(2E)-2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxyimino]-2-thiophen-2-ylacetic acid
CID 15458135
4-bromo-N-[(E)-1-thiophen-2-ylpropylideneamino]-1H-pyrazole-5-carboxamide
CID 40648504

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate (CID 8972522) is tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate is CC/C(=N/NC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
The InChIKey is PUYHUQIDNRDNMV-LCYFTJDESA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-5-9(10-7-6-8-17-10)13-14-11(15)16-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)/b13-9-.
What are the key properties of tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate has a molecular weight of 254.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate is sourced from PubChem (CID 8972522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).