3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide

C15H21FN2OS — CID 119462366

IUPAC3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCSc1ccccc1F)NCC1CCCNC1
InChIInChI=1S/C15H21FN2OS/c16-13-5-1-2-6-14(13)20-9-7-15(19)18-11-12-4-3-8-17-10-12/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,19)
InChIKeySXGSIXMPJWJEMC-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.42
Rot. Bonds6

About 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119462366) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119462366
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCSc1ccccc1F)NCC1CCCNC1
InChIInChI=1S/C15H21FN2OS/c16-13-5-1-2-6-14(13)20-9-7-15(19)18-11-12-4-3-8-17-10-12/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,19)
InChIKeySXGSIXMPJWJEMC-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452021
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-(2-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115271910
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
1-(2,6-difluorophenyl)-3-(piperidin-3-ylmethyl)urea;hydrochloride
CID 165430548
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119425746
4-(4-bromophenyl)sulfanyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119461530
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide (CID 119462366) is 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide is O=C(CCSc1ccccc1F)NCC1CCCNC1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is SXGSIXMPJWJEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c16-13-5-1-2-6-14(13)20-9-7-15(19)18-11-12-4-3-8-17-10-12/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 296.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119462366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).