1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone

C10H20N2O3S — CID 119377755

IUPAC1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H20N2O3S/c1-2-6-16(14,15)8-10(13)12-5-3-4-9(11)7-12/h9H,2-8,11H2,1H3
InChIKeyPHROHCDAMVGZJJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.24
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone

1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone (PubChem CID 119377755) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone
PubChem CID119377755
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H20N2O3S/c1-2-6-16(14,15)8-10(13)12-5-3-4-9(11)7-12/h9H,2-8,11H2,1H3
InChIKeyPHROHCDAMVGZJJ-UHFFFAOYSA-N
XLogP-0.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
CID 119381858
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
1-(3-aminopiperidin-1-yl)-2-[(4-bromophenyl)methylsulfonyl]ethanone
CID 119380958
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
CID 119381316
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
CID 119380103
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone (CID 119377755) is 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone is CCCS(=O)(=O)CC(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone?
The InChIKey is PHROHCDAMVGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-6-16(14,15)8-10(13)12-5-3-4-9(11)7-12/h9H,2-8,11H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone?
1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone has a molecular weight of 248.35 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-propylsulfonylethanone is sourced from PubChem (CID 119377755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).