N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide

C10H11FN2O2S — CID 107014890

IUPACN-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(CC(N)=S)C(=O)c1c(O)cccc1F
InChIInChI=1S/C10H11FN2O2S/c1-13(5-8(12)16)10(15)9-6(11)3-2-4-7(9)14/h2-4,14H,5H2,1H3,(H2,12,16)
InChIKeyXSBZUZJMQNFMID-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.89
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide

N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107014890) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107014890
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(CC(N)=S)C(=O)c1c(O)cccc1F
InChIInChI=1S/C10H11FN2O2S/c1-13(5-8(12)16)10(15)9-6(11)3-2-4-7(9)14/h2-4,14H,5H2,1H3,(H2,12,16)
InChIKeyXSBZUZJMQNFMID-UHFFFAOYSA-N
XLogP0.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluoro-N-methylbenzamide
CID 63223093
ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
CID 104917099
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate
CID 91717480
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
2-fluoro-6-hydroxybenzamide
CID 15219200
N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042
2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107015376
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107014890) is N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide is CN(CC(N)=S)C(=O)c1c(O)cccc1F.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is XSBZUZJMQNFMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-13(5-8(12)16)10(15)9-6(11)3-2-4-7(9)14/h2-4,14H,5H2,1H3,(H2,12,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107014890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).