1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one

C14H28N2O3S — CID 114506784

IUPAC1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
SMILESCCNC1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1CC
InChIInChI=1S/C14H28N2O3S/c1-6-11-10-16(9-8-12(11)15-7-2)13(17)14(3,4)20(5,18)19/h11-12,15H,6-10H2,1-5H3
InChIKeyXQGKQOLFIBETJD-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.05
Rot. Bonds5

About 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one

1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one (PubChem CID 114506784) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
PubChem CID114506784
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
SMILESCCNC1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1CC
InChIInChI=1S/C14H28N2O3S/c1-6-11-10-16(9-8-12(11)15-7-2)13(17)14(3,4)20(5,18)19/h11-12,15H,6-10H2,1-5H3
InChIKeyXQGKQOLFIBETJD-UHFFFAOYSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one (CID 114506784) is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one is CCNC1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1CC.
What is the InChIKey of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The InChIKey is XQGKQOLFIBETJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-6-11-10-16(9-8-12(11)15-7-2)13(17)14(3,4)20(5,18)19/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one has a molecular weight of 304.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 114506784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).