1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C13H20N2O3S2 — CID 3241452

IUPAC1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H20N2O3S2/c1-2-20(17,18)15-7-5-11(6-8-15)13(16)14-10-12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16)
InChIKeyDJAYLCPUQMUJKA-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.43
Rot. Bonds5

About 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3241452) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3241452
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H20N2O3S2/c1-2-20(17,18)15-7-5-11(6-8-15)13(16)14-10-12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16)
InChIKeyDJAYLCPUQMUJKA-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 3241452) is 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DJAYLCPUQMUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-2-20(17,18)15-7-5-11(6-8-15)13(16)14-10-12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16).
What are the key properties of 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3241452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).