2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide

C14H15FN2O2S — CID 144882085

IUPAC2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide
SMILESN#CCC(=O)NC1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H15FN2O2S/c15-10-1-4-12(5-2-10)20(19)13-6-3-11(9-13)17-14(18)7-8-16/h1-2,4-5,11,13H,3,6-7,9H2,(H,17,18)
InChIKeyWKWIEYIDQZEWBU-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.88
Rot. Bonds4

About 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide

2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide (PubChem CID 144882085) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide
PubChem CID144882085
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide
SMILESN#CCC(=O)NC1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H15FN2O2S/c15-10-1-4-12(5-2-10)20(19)13-6-3-11(9-13)17-14(18)7-8-16/h1-2,4-5,11,13H,3,6-7,9H2,(H,17,18)
InChIKeyWKWIEYIDQZEWBU-UHFFFAOYSA-N
XLogP1.88
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide
CID 144881987
2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108922373
2-cyano-N-cyclopentylacetamide
CID 5093205
2-cyano-N-(oxan-4-yl)acetamide
CID 43610224
N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
CID 115270262
N-[3-(4-chlorophenyl)cyclobutyl]-2-cyanoacetamide
CID 166222343
4-[[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 134373981
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 64715227
2-cyano-N-(3-ethylcyclohexyl)acetamide
CID 64748833
4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
CID 120600804
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide (CID 144882085) is 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide is N#CCC(=O)NC1CCC(S(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide?
The InChIKey is WKWIEYIDQZEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-10-1-4-12(5-2-10)20(19)13-6-3-11(9-13)17-14(18)7-8-16/h1-2,4-5,11,13H,3,6-7,9H2,(H,17,18).
What are the key properties of 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide?
2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide is sourced from PubChem (CID 144882085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).