N-phenyl-2-piperidin-3-ylsulfanylpropanamide

C14H20N2OS — CID 84754961

IUPACN-phenyl-2-piperidin-3-ylsulfanylpropanamide
SMILESCC(SC1CCCNC1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-11(18-13-8-5-9-15-10-13)14(17)16-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17)
InChIKeyNAUCFCBDMDZQFT-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.50
Rot. Bonds4

About N-phenyl-2-piperidin-3-ylsulfanylpropanamide

N-phenyl-2-piperidin-3-ylsulfanylpropanamide (PubChem CID 84754961) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-phenyl-2-piperidin-3-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-phenyl-2-piperidin-3-ylsulfanylpropanamide
PubChem CID84754961
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-phenyl-2-piperidin-3-ylsulfanylpropanamide
SMILESCC(SC1CCCNC1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-11(18-13-8-5-9-15-10-13)14(17)16-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17)
InChIKeyNAUCFCBDMDZQFT-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-piperidin-3-ylsulfanylacetamide
CID 84754956
(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
N-phenyl-2-(piperidin-3-ylmethoxy)propanamide
CID 62340568
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide
CID 82182072
N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311611
(2R)-2-cyclohexylsulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 8705633
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide
CID 62722965

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-piperidin-3-ylsulfanylpropanamide?
The IUPAC name of N-phenyl-2-piperidin-3-ylsulfanylpropanamide (CID 84754961) is N-phenyl-2-piperidin-3-ylsulfanylpropanamide.
What is the SMILES notation for N-phenyl-2-piperidin-3-ylsulfanylpropanamide?
The canonical SMILES for N-phenyl-2-piperidin-3-ylsulfanylpropanamide is CC(SC1CCCNC1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-piperidin-3-ylsulfanylpropanamide?
The InChIKey is NAUCFCBDMDZQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(18-13-8-5-9-15-10-13)14(17)16-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17).
What are the key properties of N-phenyl-2-piperidin-3-ylsulfanylpropanamide?
N-phenyl-2-piperidin-3-ylsulfanylpropanamide has a molecular weight of 264.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-piperidin-3-ylsulfanylpropanamide is sourced from PubChem (CID 84754961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).