2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide

C14H18FNO2S — CID 62517193

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC1(CO)CCCC1
InChIInChI=1S/C14H18FNO2S/c15-11-3-5-12(6-4-11)19-9-13(18)16-14(10-17)7-1-2-8-14/h3-6,17H,1-2,7-10H2,(H,16,18)
InChIKeyWFSLZWRVFAFCNC-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.34
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 62517193) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID62517193
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC1(CO)CCCC1
InChIInChI=1S/C14H18FNO2S/c15-11-3-5-12(6-4-11)19-9-13(18)16-14(10-17)7-1-2-8-14/h3-6,17H,1-2,7-10H2,(H,16,18)
InChIKeyWFSLZWRVFAFCNC-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide (CID 62517193) is 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide is O=C(CSc1ccc(F)cc1)NC1(CO)CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is WFSLZWRVFAFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-11-3-5-12(6-4-11)19-9-13(18)16-14(10-17)7-1-2-8-14/h3-6,17H,1-2,7-10H2,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 62517193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).