1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one

C15H28N2O3S — CID 119520216

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
SMILESCC(N)C1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-12(16)13-6-9-17(10-7-13)15(18)8-11-21(19,20)14-4-2-3-5-14/h12-14H,2-11,16H2,1H3
InChIKeyJTEFFDSISNGPOA-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.32
Rot. Bonds5

About 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one

1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one (PubChem CID 119520216) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
PubChem CID119520216
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
SMILESCC(N)C1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-12(16)13-6-9-17(10-7-13)15(18)8-11-21(19,20)14-4-2-3-5-14/h12-14H,2-11,16H2,1H3
InChIKeyJTEFFDSISNGPOA-UHFFFAOYSA-N
XLogP1.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(butylsulfonyl)-N-cyclopentyl-4-piperidinecarboxamide
CID 6472729
3-Cyclopentylsulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 51081628
3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 94152274
1-[2-(Aminomethyl)-3-methylpiperidin-1-yl]-2-propylsulfonylethanone
CID 119597008
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344059
1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
CID 136539815
N-cyclopentyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 4049996
N-cyclopentyl-1-(propylsulfonyl)-4-piperidinecarboxamide
CID 5003086
N-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]acetamide
CID 47251028
2-(cyclopentylthio)-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 71806285
4-[(1-Ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
CID 20604352
4-butylsulfonyl-N-methylpiperidine-4-carboxamide
CID 60102904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one (CID 119520216) is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one is CC(N)C1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
The InChIKey is JTEFFDSISNGPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-12(16)13-6-9-17(10-7-13)15(18)8-11-21(19,20)14-4-2-3-5-14/h12-14H,2-11,16H2,1H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one has a molecular weight of 316.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one is sourced from PubChem (CID 119520216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).