N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide

C13H25N3O3S — CID 61365867

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CC2CCCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-20(18,19)16-8-5-11(6-9-16)15-13(17)10-12-4-3-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeySADNKIMYCNCVKJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.06
Rot. Bonds5

About N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide

N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61365867) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID61365867
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CC2CCCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-20(18,19)16-8-5-11(6-9-16)15-13(17)10-12-4-3-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeySADNKIMYCNCVKJ-UHFFFAOYSA-N
XLogP0.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119674142
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
N-(1-methylpyrrolidin-3-yl)-2-piperidin-2-ylacetamide
CID 61465166
2-pyrrolidin-2-yl-N-(thian-4-yl)acetamide
CID 115738943
N-propylsulfonyl-2-pyrrolidin-2-ylacetamide
CID 103307605
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854358
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
N-(4-hydroxycyclohexyl)-2-piperidin-2-ylacetamide
CID 43151230
N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287512
2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
CID 119777081
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide (CID 61365867) is N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide is CCS(=O)(=O)N1CCC(NC(=O)CC2CCCN2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is SADNKIMYCNCVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-2-20(18,19)16-8-5-11(6-9-16)15-13(17)10-12-4-3-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 303.43 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).