2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide

C20H25N3OS — CID 60516460

IUPAC2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C20H25N3OS/c1-16(25-15-17-8-4-2-5-9-17)20(24)22-19-11-10-18(14-21-19)23-12-6-3-7-13-23/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,21,22,24)
InChIKeyCSAAZKDJWHORPR-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.33
Rot. Bonds6

About 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide

2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide (PubChem CID 60516460) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
PubChem CID60516460
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C20H25N3OS/c1-16(25-15-17-8-4-2-5-9-17)20(24)22-19-11-10-18(14-21-19)23-12-6-3-7-13-23/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,21,22,24)
InChIKeyCSAAZKDJWHORPR-UHFFFAOYSA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 95288755
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
CID 119855700
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
CID 113030634
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113031077
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 39072303
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide (CID 60516460) is 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide is CC(SCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
The InChIKey is CSAAZKDJWHORPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-16(25-15-17-8-4-2-5-9-17)20(24)22-19-11-10-18(14-21-19)23-12-6-3-7-13-23/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,21,22,24).
What are the key properties of 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide has a molecular weight of 355.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 60516460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).