1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone

C11H22N2O3S — CID 119595149

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)8-11(14)13-6-4-5-10(7-13)9(2)12/h9-10H,3-8,12H2,1-2H3
InChIKeyNBTSLRGUQCMOLV-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.01
Rot. Bonds4

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone

1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone (PubChem CID 119595149) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
PubChem CID119595149
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)8-11(14)13-6-4-5-10(7-13)9(2)12/h9-10H,3-8,12H2,1-2H3
InChIKeyNBTSLRGUQCMOLV-UHFFFAOYSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 125119704
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
CID 119595563
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone
CID 119377755
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone
CID 119594069
1-[3-(1-aminoethyl)piperidin-1-yl]-3-butylsulfanylpropan-1-one;hydrochloride
CID 119596848
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103807110

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone (CID 119595149) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone is CCS(=O)(=O)CC(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone?
The InChIKey is NBTSLRGUQCMOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-17(15,16)8-11(14)13-6-4-5-10(7-13)9(2)12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone has a molecular weight of 262.37 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone is sourced from PubChem (CID 119595149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).