2-piperidin-3-ylsulfanyl-N-propylacetamide

C10H20N2OS — CID 84755018

IUPAC2-piperidin-3-ylsulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC1CCCNC1
InChIInChI=1S/C10H20N2OS/c1-2-5-12-10(13)8-14-9-4-3-6-11-7-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFISQJCCENCOGKZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds5

About 2-piperidin-3-ylsulfanyl-N-propylacetamide

2-piperidin-3-ylsulfanyl-N-propylacetamide (PubChem CID 84755018) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-piperidin-3-ylsulfanyl-N-propylacetamide
PubChem CID84755018
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-piperidin-3-ylsulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC1CCCNC1
InChIInChI=1S/C10H20N2OS/c1-2-5-12-10(13)8-14-9-4-3-6-11-7-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFISQJCCENCOGKZ-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-piperidin-3-ylsulfanylacetamide
CID 84754963
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
N-phenyl-2-piperidin-3-ylsulfanylacetamide
CID 84754956
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
N-[2-oxo-2-(propylamino)ethyl]-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119299137
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
CID 114626915
1-(3,4-dimethylphenyl)-2-piperidin-3-ylsulfanylethanone
CID 84755036
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
methyl 2-pyrrolidin-3-ylsulfanylacetate
CID 62327248
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfanyl-N-propylacetamide?
The IUPAC name of 2-piperidin-3-ylsulfanyl-N-propylacetamide (CID 84755018) is 2-piperidin-3-ylsulfanyl-N-propylacetamide.
What is the SMILES notation for 2-piperidin-3-ylsulfanyl-N-propylacetamide?
The canonical SMILES for 2-piperidin-3-ylsulfanyl-N-propylacetamide is CCCNC(=O)CSC1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfanyl-N-propylacetamide?
The InChIKey is FISQJCCENCOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-5-12-10(13)8-14-9-4-3-6-11-7-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-piperidin-3-ylsulfanyl-N-propylacetamide?
2-piperidin-3-ylsulfanyl-N-propylacetamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfanyl-N-propylacetamide is sourced from PubChem (CID 84755018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).