N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide

C11H14N2O2S — CID 61126113

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide
SMILESCC(C)(NC(=O)c1ccc(O)cc1)C(N)=S
InChIInChI=1S/C11H14N2O2S/c1-11(2,10(12)16)13-9(15)7-3-5-8(14)6-4-7/h3-6,14H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyHWNOTYSXDLHCQO-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.19
Rot. Bonds3

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide (PubChem CID 61126113) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide
PubChem CID61126113
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide
SMILESCC(C)(NC(=O)c1ccc(O)cc1)C(N)=S
InChIInChI=1S/C11H14N2O2S/c1-11(2,10(12)16)13-9(15)7-3-5-8(14)6-4-7/h3-6,14H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyHWNOTYSXDLHCQO-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
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)-4-hydroxybenzamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide (CID 61126113) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide is CC(C)(NC(=O)c1ccc(O)cc1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide?
The InChIKey is HWNOTYSXDLHCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-11(2,10(12)16)13-9(15)7-3-5-8(14)6-4-7/h3-6,14H,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.19, 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)-4-hydroxybenzamide is sourced from PubChem (CID 61126113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).