2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide

C10H10FN3O2S — CID 81181699

IUPAC2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CS(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C10H10FN3O2S/c11-7-3-8(13)5-9(4-7)17(16)6-10(15)14-2-1-12/h3-5H,2,6,13H2,(H,14,15)
InChIKeyOVSJPNQMFRLAHF-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.16
Rot. Bonds4

About 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide

2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide (PubChem CID 81181699) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide
PubChem CID81181699
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CS(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C10H10FN3O2S/c11-7-3-8(13)5-9(4-7)17(16)6-10(15)14-2-1-12/h3-5H,2,6,13H2,(H,14,15)
InChIKeyOVSJPNQMFRLAHF-UHFFFAOYSA-N
XLogP0.16
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 64715227
2-[1-[(3-amino-5-fluorophenyl)sulfinylmethyl]cyclopropyl]acetonitrile
CID 81182436
2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
CID 81185128
3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81181859
2-(4-amino-2-fluorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81192164
3-fluoro-5-heptylsulfinylaniline
CID 81181941
2-[2-(cyanomethylamino)-2-oxoethyl]sulfinylacetic acid
CID 60981994
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81202421
3-fluoro-5-propan-2-ylsulfinylaniline
CID 81182017
3-(3-ethoxypropylsulfinyl)-5-fluoroaniline
CID 81183099
3-fluoro-5-(2-pyrrolidin-1-ylethylsulfinyl)aniline
CID 114015324
3-(2-cyclopropylethylsulfinyl)-5-fluoroaniline
CID 81182349

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide (CID 81181699) is 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide is N#CCNC(=O)CS(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
The InChIKey is OVSJPNQMFRLAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c11-7-3-8(13)5-9(4-7)17(16)6-10(15)14-2-1-12/h3-5H,2,6,13H2,(H,14,15).
What are the key properties of 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide?
2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide has a molecular weight of 255.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluorophenyl)sulfinyl-N-(cyanomethyl)acetamide is sourced from PubChem (CID 81181699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).