N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide

C10H12N2O2S — CID 107671452

IUPACN-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC(N)=S
InChIInChI=1S/C10H12N2O2S/c1-6-4-7(13)2-3-8(6)10(14)12-5-9(11)15/h2-4,13H,5H2,1H3,(H2,11,15)(H,12,14)
InChIKeyFGXDYLUZSCEEPY-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.72
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide

N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide (PubChem CID 107671452) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
PubChem CID107671452
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC(N)=S
InChIInChI=1S/C10H12N2O2S/c1-6-4-7(13)2-3-8(6)10(14)12-5-9(11)15/h2-4,13H,5H2,1H3,(H2,11,15)(H,12,14)
InChIKeyFGXDYLUZSCEEPY-UHFFFAOYSA-N
XLogP0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.72
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-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide
CID 106501035
4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 104860755
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
4-hydroxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 103863578
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
CID 107670516
4-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107091867
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N-(2-amino-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210073
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide (CID 107671452) is N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is FGXDYLUZSCEEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6-4-7(13)2-3-8(6)10(14)12-5-9(11)15/h2-4,13H,5H2,1H3,(H2,11,15)(H,12,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide?
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 224.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107671452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).