N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide

C11H14N2O2S — CID 61119089

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(N)=S)c1O
InChIInChI=1S/C11H14N2O2S/c1-6-4-3-5-8(9(6)14)11(15)13-7(2)10(12)16/h3-5,7,14H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyPQEXXJSXXVOOFN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.11
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide (PubChem CID 61119089) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
PubChem CID61119089
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(N)=S)c1O
InChIInChI=1S/C11H14N2O2S/c1-6-4-3-5-8(9(6)14)11(15)13-7(2)10(12)16/h3-5,7,14H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyPQEXXJSXXVOOFN-UHFFFAOYSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.11
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-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide
CID 61122011
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CID 79802281
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307805
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
CID 107722051
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
CID 106357259
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide (CID 61119089) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(N)=S)c1O.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide?
The InChIKey is PQEXXJSXXVOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-6-4-3-5-8(9(6)14)11(15)13-7(2)10(12)16/h3-5,7,14H,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 61119089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).