N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide

C9H10N2O3S — CID 107703205

IUPACN-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide
SMILESNC(=S)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H10N2O3S/c10-8(15)4-11-9(14)5-1-6(12)3-7(13)2-5/h1-3,12-13H,4H2,(H2,10,15)(H,11,14)
InChIKeyRARIUOGQDLZMKS-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.11
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide

N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide (PubChem CID 107703205) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide
PubChem CID107703205
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide
SMILESNC(=S)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H10N2O3S/c10-8(15)4-11-9(14)5-1-6(12)3-7(13)2-5/h1-3,12-13H,4H2,(H2,10,15)(H,11,14)
InChIKeyRARIUOGQDLZMKS-UHFFFAOYSA-N
XLogP0.11
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
N-(2-amino-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210073
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 104939117
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
N-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
CID 114148875
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide (CID 107703205) is N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide is NC(=S)CNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide?
The InChIKey is RARIUOGQDLZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-8(15)4-11-9(14)5-1-6(12)3-7(13)2-5/h1-3,12-13H,4H2,(H2,10,15)(H,11,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide?
N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide has a molecular weight of 226.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107703205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).