N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide

C13H26N2O3S — CID 103884962

IUPACN-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCCS(=O)(=O)CCNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H26N2O3S/c1-4-19(17,18)9-8-15-12(16)13(2,3)11-6-5-7-14-10-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyUAMNSFKCRQQMMK-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.56
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 103884962) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID103884962
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCCS(=O)(=O)CCNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H26N2O3S/c1-4-19(17,18)9-8-15-12(16)13(2,3)11-6-5-7-14-10-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyUAMNSFKCRQQMMK-UHFFFAOYSA-N
XLogP0.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 103884962) is N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide is CCS(=O)(=O)CCNC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is UAMNSFKCRQQMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-19(17,18)9-8-15-12(16)13(2,3)11-6-5-7-14-10-11/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 103884962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).