N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide

C10H9FN2O2S — CID 64715227

IUPACN-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
SMILESN#CCNC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2S/c11-8-1-3-9(4-2-8)16(15)7-10(14)13-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyYVKXUQAIOGLWJF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.57
Rot. Bonds4

About N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide

N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide (PubChem CID 64715227) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
PubChem CID64715227
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC NameN-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
SMILESN#CCNC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2S/c11-8-1-3-9(4-2-8)16(15)7-10(14)13-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyYVKXUQAIOGLWJF-UHFFFAOYSA-N
XLogP0.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide
CID 81181699
2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide
CID 63790699
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276
2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
CID 63793167
2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
CID 81185128
2-[2-(cyanomethylamino)-2-oxoethyl]sulfinylacetic acid
CID 60981994
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 61301818
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 64636487
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
CID 64636130
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide (CID 64715227) is N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide is N#CCNC(=O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide?
The InChIKey is YVKXUQAIOGLWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c11-8-1-3-9(4-2-8)16(15)7-10(14)13-6-5-12/h1-4H,6-7H2,(H,13,14).
What are the key properties of N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide?
N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide has a molecular weight of 240.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide is sourced from PubChem (CID 64715227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).