N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide

C10H12N2O2S — CID 82114951

IUPACN-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide
SMILESCC(=O)NC(C(N)=S)c1ccc(O)cc1
InChIInChI=1S/C10H12N2O2S/c1-6(13)12-9(10(11)15)7-2-4-8(14)5-3-7/h2-5,9,14H,1H3,(H2,11,15)(H,12,13)
InChIKeyAFTVBXCOPBODMR-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.86
Rot. Bonds3

About N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide

N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide (PubChem CID 82114951) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide
PubChem CID82114951
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC NameN-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide
SMILESCC(=O)NC(C(N)=S)c1ccc(O)cc1
InChIInChI=1S/C10H12N2O2S/c1-6(13)12-9(10(11)15)7-2-4-8(14)5-3-7/h2-5,9,14H,1H3,(H2,11,15)(H,12,13)
InChIKeyAFTVBXCOPBODMR-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide
CID 82113206
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
CID 14037276
CID 159192665
CID 159192665
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
3-(4-hydroxyphenyl)-2-methylbutanethioamide
CID 83930398
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
CID 82809158
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
CID 178035855

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide?
The IUPAC name of N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide (CID 82114951) is N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide.
What is the SMILES notation for N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide?
The canonical SMILES for N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide is CC(=O)NC(C(N)=S)c1ccc(O)cc1.
What is the InChIKey of N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide?
The InChIKey is AFTVBXCOPBODMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(13)12-9(10(11)15)7-2-4-8(14)5-3-7/h2-5,9,14H,1H3,(H2,11,15)(H,12,13).
What are the key properties of N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide?
N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide has a molecular weight of 224.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide is sourced from PubChem (CID 82114951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).