2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide

C11H14N2OS — CID 14995592

IUPAC2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN
InChIInChI=1S/C11H14N2OS/c1-2-7-15-10-6-4-3-5-9(10)13-11(14)8-12/h2-6H,1,7-8,12H2,(H,13,14)
InChIKeyGSQSRNLAYVDHHY-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 14995592) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID14995592
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN
InChIInChI=1S/C11H14N2OS/c1-2-7-15-10-6-4-3-5-9(10)13-11(14)8-12/h2-6H,1,7-8,12H2,(H,13,14)
InChIKeyGSQSRNLAYVDHHY-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
4-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 80542781
2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 64683280
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
1-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437461
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
2-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)pyridine-4-carboxamide
CID 114325909
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]azanium
CID 9043223
N-(2-ethylsulfanylphenyl)but-3-enamide
CID 162691877
2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 14995592) is 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CN.
What is the InChIKey of 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is GSQSRNLAYVDHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-7-15-10-6-4-3-5-9(10)13-11(14)8-12/h2-6H,1,7-8,12H2,(H,13,14).
What are the key properties of 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 222.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 14995592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).