2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide

C13H21N3O3S2 — CID 115286975

IUPAC2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H21N3O3S2/c1-2-21(18,19)16-7-5-10(6-8-16)15-13(17)12(14)11-4-3-9-20-11/h3-4,9-10,12H,2,5-8,14H2,1H3,(H,15,17)
InChIKeyBBKFTLCCWAYHPB-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.68
Rot. Bonds5

About 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide

2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide (PubChem CID 115286975) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
PubChem CID115286975
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H21N3O3S2/c1-2-21(18,19)16-7-5-10(6-8-16)15-13(17)12(14)11-4-3-9-20-11/h3-4,9-10,12H,2,5-8,14H2,1H3,(H,15,17)
InChIKeyBBKFTLCCWAYHPB-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 115285967
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 113279219
1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43771737
2-amino-N-(oxetan-3-yl)-2-thiophen-2-ylacetamide
CID 115287511
2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 114096100
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide (CID 115286975) is 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide is CCS(=O)(=O)N1CCC(NC(=O)C(N)c2cccs2)CC1.
What is the InChIKey of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The InChIKey is BBKFTLCCWAYHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-2-21(18,19)16-7-5-10(6-8-16)15-13(17)12(14)11-4-3-9-20-11/h3-4,9-10,12H,2,5-8,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide has a molecular weight of 331.46 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).