2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide

C10H10N2O2S — CID 29085

IUPAC2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide
SMILESNC(=O)CN1Cc2ccccc2OC1=S
InChIInChI=1S/C10H10N2O2S/c11-9(13)6-12-5-7-3-1-2-4-8(7)14-10(12)15/h1-4H,5-6H2,(H2,11,13)
InChIKeyPTEOKRZZXJSXLJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.65
Rot. Bonds2

About 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide

2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide (PubChem CID 29085) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide
PubChem CID29085
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide
SMILESNC(=O)CN1Cc2ccccc2OC1=S
InChIInChI=1S/C10H10N2O2S/c11-9(13)6-12-5-7-3-1-2-4-8(7)14-10(12)15/h1-4H,5-6H2,(H2,11,13)
InChIKeyPTEOKRZZXJSXLJ-UHFFFAOYSA-N
XLogP0.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Caroxazone
CID 29083
3-Benzyl-4-thioxo-1,3-benzoxazin-2-one
CID 46838382
3-Benzyl-1,3-benzoxazine-2,4-dithione
CID 46838519
2H-1,3-Benzoxazine-3(4H)-acetamide, 4-methyl-2-oxo-
CID 29084
1-(2-Methoxybenzyl)piperazine-2,3-dione
CID 16027896
2H-1,3-Benzoxazine-3(4H)-acetamide, N-methyl-2-oxo-
CID 205670
2H-1,3-Benzoxazine-3(4H)-acetamide, N,N-diethyl-2-oxo-
CID 205671
2H-1,3-Benzoxazine-3(4H)-acetic acid, 2-oxo-, hydrazide
CID 205672
2H-1,3-Benzoxazine-3(4H)-acetamide, 4-ethyl-2-oxo-
CID 205675
2-[(5-Fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide
CID 8559754
2-[(2-Methoxy-5-methylphenyl)methyl-methylamino]acetamide
CID 8805233
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxopiperazin-1-yl)acetamide
CID 45797164

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide?
The IUPAC name of 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide (CID 29085) is 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide.
What is the SMILES notation for 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide?
The canonical SMILES for 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide is NC(=O)CN1Cc2ccccc2OC1=S.
What is the InChIKey of 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide?
The InChIKey is PTEOKRZZXJSXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-9(13)6-12-5-7-3-1-2-4-8(7)14-10(12)15/h1-4H,5-6H2,(H2,11,13).
What are the key properties of 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide?
2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide has a molecular weight of 222.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide is sourced from PubChem (CID 29085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).