N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide

C13H14N2O2S — CID 11536255

IUPACN-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide
SMILESN#CCNC(=O)CS(=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O2S/c14-5-6-15-13(16)9-18(17)12-7-10-3-1-2-4-11(10)8-12/h1-4,12H,6-9H2,(H,15,16)
InChIKeyXCPONVXEZQLLOU-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.54
Rot. Bonds4

About N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide

N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide (PubChem CID 11536255) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide
PubChem CID11536255
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide
SMILESN#CCNC(=O)CS(=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O2S/c14-5-6-15-13(16)9-18(17)12-7-10-3-1-2-4-11(10)8-12/h1-4,12H,6-9H2,(H,15,16)
InChIKeyXCPONVXEZQLLOU-UHFFFAOYSA-N
XLogP0.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide (CID 11536255) is N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide is N#CCNC(=O)CS(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide?
The InChIKey is XCPONVXEZQLLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-5-6-15-13(16)9-18(17)12-7-10-3-1-2-4-11(10)8-12/h1-4,12H,6-9H2,(H,15,16).
What are the key properties of N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide?
N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide has a molecular weight of 262.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-2-ylsulfinyl)acetamide is sourced from PubChem (CID 11536255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).