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

C9H12N2O2S — CID 8972617

IUPACmethyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC)c1cccs1
InChIInChI=1S/C9H12N2O2S/c1-3-7(8-5-4-6-14-8)10-11-9(12)13-2/h4-6H,3H2,1-2H3,(H,11,12)/b10-7-
InChIKeyVUDAWXXKENXRMC-YFHOEESVSA-N
MW212.27 g/mol
LogP2.22
Rot. Bonds3

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

methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate (PubChem CID 8972617) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
PubChem CID8972617
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Namemethyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC)c1cccs1
InChIInChI=1S/C9H12N2O2S/c1-3-7(8-5-4-6-14-8)10-11-9(12)13-2/h4-6H,3H2,1-2H3,(H,11,12)/b10-7-
InChIKeyVUDAWXXKENXRMC-YFHOEESVSA-N
XLogP2.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.22
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

tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
4-bromo-N-[(E)-1-thiophen-2-ylpropylideneamino]-1H-pyrazole-5-carboxamide
CID 40648504
1-thiophen-2-ylpropan-1-one
CID 26179
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide
CID 9031058
(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one
CID 89007069
tert-butyl N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]carbamate
CID 3131610
6-bromo-3-chloro-N-[(Z)-1-thiophen-2-ylpropylideneamino]-1-benzothiophene-2-carboxamide
CID 6029011
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
CID 8972630

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate (CID 8972617) is methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate is CC/C(=N/NC(=O)OC)c1cccs1.
What is the InChIKey of methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
The InChIKey is VUDAWXXKENXRMC-YFHOEESVSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-7(8-5-4-6-14-8)10-11-9(12)13-2/h4-6H,3H2,1-2H3,(H,11,12)/b10-7-.
What are the key properties of methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate?
methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate has a molecular weight of 212.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate is sourced from PubChem (CID 8972617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).