N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide

C10H12N2O3S — CID 107722051

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
SMILESCC(NC(=O)c1cc(O)ccc1O)C(N)=S
InChIInChI=1S/C10H12N2O3S/c1-5(9(11)16)12-10(15)7-4-6(13)2-3-8(7)14/h2-5,13-14H,1H3,(H2,11,16)(H,12,15)
InChIKeyYXCURFCXYVQLAI-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.50
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide (PubChem CID 107722051) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
PubChem CID107722051
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
SMILESCC(NC(=O)c1cc(O)ccc1O)C(N)=S
InChIInChI=1S/C10H12N2O3S/c1-5(9(11)16)12-10(15)7-4-6(13)2-3-8(7)14/h2-5,13-14H,1H3,(H2,11,16)(H,12,15)
InChIKeyYXCURFCXYVQLAI-UHFFFAOYSA-N
XLogP0.50
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107722174
tert-butyl (2S)-2-[(2,5-dihydroxybenzoyl)amino]propanoate
CID 107725397
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
CID 107723639
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide
CID 79802281
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307805
methyl 3-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 113347091
2-[(2,5-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 23191955
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide (CID 107722051) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide is CC(NC(=O)c1cc(O)ccc1O)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide?
The InChIKey is YXCURFCXYVQLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-5(9(11)16)12-10(15)7-4-6(13)2-3-8(7)14/h2-5,13-14H,1H3,(H2,11,16)(H,12,15).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107722051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).