1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide

C13H26N2O3S — CID 56789827

IUPAC1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C13H26N2O3S/c1-4-15-9-7-6-8-12(15)13(16)14-11(3)10-19(17,18)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyWGAHDBPDVLGAJS-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.80
Rot. Bonds6

About 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide

1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide (PubChem CID 56789827) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide
PubChem CID56789827
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C13H26N2O3S/c1-4-15-9-7-6-8-12(15)13(16)14-11(3)10-19(17,18)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyWGAHDBPDVLGAJS-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide (CID 56789827) is 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide is CCN1CCCCC1C(=O)NC(C)CS(=O)(=O)CC.
What is the InChIKey of 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide?
The InChIKey is WGAHDBPDVLGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-15-9-7-6-8-12(15)13(16)14-11(3)10-19(17,18)5-2/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide?
1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 56789827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).