3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide

C14H16F2N2O2S — CID 62896998

IUPAC3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCSc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C14H16F2N2O2S/c15-11-3-2-10(7-12(11)16)21-6-5-14(20)18-9-1-4-13(19)17-8-9/h2-3,7,9H,1,4-6,8H2,(H,17,19)(H,18,20)
InChIKeyYTICSIPXXUAQBH-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.84
Rot. Bonds5

About 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide

3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 62896998) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID62896998
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCSc2ccc(F)c(F)c2)CN1
InChIInChI=1S/C14H16F2N2O2S/c15-11-3-2-10(7-12(11)16)21-6-5-14(20)18-9-1-4-13(19)17-8-9/h2-3,7,9H,1,4-6,8H2,(H,17,19)(H,18,20)
InChIKeyYTICSIPXXUAQBH-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62490585
2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
3-(2-bromo-5-fluorophenyl)-N-[(3S)-6-oxopiperidin-3-yl]propanamide
CID 99782848
3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453174
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
3-(2-hydroxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 55211402
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996
N-cyano-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 79195397
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 55210131
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide (CID 62896998) is 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide is O=C1CCC(NC(=O)CCSc2ccc(F)c(F)c2)CN1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is YTICSIPXXUAQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c15-11-3-2-10(7-12(11)16)21-6-5-14(20)18-9-1-4-13(19)17-8-9/h2-3,7,9H,1,4-6,8H2,(H,17,19)(H,18,20).
What are the key properties of 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide?
3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 314.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 62896998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).