N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide

C15H16N2O2S — CID 61121224

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1O)C(N)=S
InChIInChI=1S/C15H16N2O2S/c1-15(2,14(16)20)17-13(19)11-8-7-9-5-3-4-6-10(9)12(11)18/h3-8,18H,1-2H3,(H2,16,20)(H,17,19)
InChIKeyDJAUTQNHAHMEEH-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.34
Rot. Bonds3

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide (PubChem CID 61121224) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
PubChem CID61121224
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1O)C(N)=S
InChIInChI=1S/C15H16N2O2S/c1-15(2,14(16)20)17-13(19)11-8-7-9-5-3-4-6-10(9)12(11)18/h3-8,18H,1-2H3,(H2,16,20)(H,17,19)
InChIKeyDJAUTQNHAHMEEH-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.34
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

2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150097816
3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174532399
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
(3,3-dimethyl-2-oxobutyl) 1-hydroxynaphthalene-2-carboxylate
CID 958586
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
1-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 47011963
N-(1-amino-2-methylpropan-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 119522938
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid
CID 63914035
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide (CID 61121224) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide is CC(C)(NC(=O)c1ccc2ccccc2c1O)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is DJAUTQNHAHMEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-15(2,14(16)20)17-13(19)11-8-7-9-5-3-4-6-10(9)12(11)18/h3-8,18H,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 61121224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).