2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide

C17H26N2OS — CID 119555725

IUPAC2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C17H26N2OS/c1-14(21-13-16-6-3-2-4-7-16)17(20)19-11-9-15-8-5-10-18-12-15/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,19,20)
InChIKeyPVMLGNOHQYGAPZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.81
Rot. Bonds7

About 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide

2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide (PubChem CID 119555725) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
PubChem CID119555725
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C17H26N2OS/c1-14(21-13-16-6-3-2-4-7-16)17(20)19-11-9-15-8-5-10-18-12-15/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,19,20)
InChIKeyPVMLGNOHQYGAPZ-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940
2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555109
2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557523
2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557256
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 119557967
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558045
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylpropanamide
CID 119555906
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119555709

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide (CID 119555725) is 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide is CC(SCc1ccccc1)C(=O)NCCC1CCCNC1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide?
The InChIKey is PVMLGNOHQYGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-14(21-13-16-6-3-2-4-7-16)17(20)19-11-9-15-8-5-10-18-12-15/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,19,20).
What are the key properties of 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide?
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide has a molecular weight of 306.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide is sourced from PubChem (CID 119555725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).