1-thiophen-2-ylethenyl N,N-dimethylcarbamate

C9H11NO2S — CID 102228105

IUPAC1-thiophen-2-ylethenyl N,N-dimethylcarbamate
SMILESC=C(OC(=O)N(C)C)c1cccs1
InChIInChI=1S/C9H11NO2S/c1-7(8-5-4-6-13-8)12-9(11)10(2)3/h4-6H,1H2,2-3H3
InChIKeyJDKBBCWOJZSNAQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.42
Rot. Bonds2

About 1-thiophen-2-ylethenyl N,N-dimethylcarbamate

1-thiophen-2-ylethenyl N,N-dimethylcarbamate (PubChem CID 102228105) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-thiophen-2-ylethenyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-thiophen-2-ylethenyl N,N-dimethylcarbamate
PubChem CID102228105
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-thiophen-2-ylethenyl N,N-dimethylcarbamate
SMILESC=C(OC(=O)N(C)C)c1cccs1
InChIInChI=1S/C9H11NO2S/c1-7(8-5-4-6-13-8)12-9(11)10(2)3/h4-6H,1H2,2-3H3
InChIKeyJDKBBCWOJZSNAQ-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
1-thiophen-2-ylpropan-1-one
CID 26179
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
CID 20673042
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
methylcarbamoyl thiophene-2-carboxylate
CID 143396062
aminomethyl thiophene-2-carboxylate
CID 142796710
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
4-(2-methylprop-2-enoyloxy)butyl thiophene-2-carboxylate
CID 21182205
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 46860302

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylethenyl N,N-dimethylcarbamate?
The IUPAC name of 1-thiophen-2-ylethenyl N,N-dimethylcarbamate (CID 102228105) is 1-thiophen-2-ylethenyl N,N-dimethylcarbamate.
What is the SMILES notation for 1-thiophen-2-ylethenyl N,N-dimethylcarbamate?
The canonical SMILES for 1-thiophen-2-ylethenyl N,N-dimethylcarbamate is C=C(OC(=O)N(C)C)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylethenyl N,N-dimethylcarbamate?
The InChIKey is JDKBBCWOJZSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7(8-5-4-6-13-8)12-9(11)10(2)3/h4-6H,1H2,2-3H3.
What are the key properties of 1-thiophen-2-ylethenyl N,N-dimethylcarbamate?
1-thiophen-2-ylethenyl N,N-dimethylcarbamate has a molecular weight of 197.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylethenyl N,N-dimethylcarbamate is sourced from PubChem (CID 102228105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).