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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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).