ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate

C12H15NO2S — CID 60661108

IUPACethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
SMILESC=CCSc1ccccc1NC(=O)OCC
InChIInChI=1S/C12H15NO2S/c1-3-9-16-11-8-6-5-7-10(11)13-12(14)15-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14)
InChIKeyZQXYBUBODMMPPN-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.53
Rot. Bonds5

About ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate

ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate (PubChem CID 60661108) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
PubChem CID60661108
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Nameethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
SMILESC=CCSc1ccccc1NC(=O)OCC
InChIInChI=1S/C12H15NO2S/c1-3-9-16-11-8-6-5-7-10(11)13-12(14)15-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14)
InChIKeyZQXYBUBODMMPPN-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
ethyl 1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxylate
CID 8772895
4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 80542781
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 62473395
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
3-bromo-5-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 104851985
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate?
The IUPAC name of ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate (CID 60661108) is ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate?
The canonical SMILES for ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate is C=CCSc1ccccc1NC(=O)OCC.
What is the InChIKey of ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate?
The InChIKey is ZQXYBUBODMMPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-9-16-11-8-6-5-7-10(11)13-12(14)15-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14).
What are the key properties of ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate?
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate has a molecular weight of 237.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate is sourced from PubChem (CID 60661108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).