1-(2-aminoethylsulfonyl)piperidin-4-one

C7H14N2O3S — CID 131168704

IUPAC1-(2-aminoethylsulfonyl)piperidin-4-one
SMILESNCCS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C7H14N2O3S/c8-3-6-13(11,12)9-4-1-7(10)2-5-9/h1-6,8H2
InChIKeyVRZSHPCSBPKLGK-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.06
Rot. Bonds3

About 1-(2-aminoethylsulfonyl)piperidin-4-one

1-(2-aminoethylsulfonyl)piperidin-4-one (PubChem CID 131168704) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(2-aminoethylsulfonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-aminoethylsulfonyl)piperidin-4-one
PubChem CID131168704
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-(2-aminoethylsulfonyl)piperidin-4-one
SMILESNCCS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C7H14N2O3S/c8-3-6-13(11,12)9-4-1-7(10)2-5-9/h1-6,8H2
InChIKeyVRZSHPCSBPKLGK-UHFFFAOYSA-N
XLogP-1.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminoethylsulfonyl)piperidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine
CID 164659352
2-piperazin-1-ylsulfonylethanamine
CID 16762501
1-prop-2-enylsulfonylpiperidin-4-one
CID 174458875
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
4-(2-aminoethylsulfonyl)-1,4-diazepan-2-one
CID 65366505
2-[(1-oxo-1,4-thiazepan-4-yl)sulfonyl]ethanamine
CID 127001312
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
CID 115559716
ethene;1-methylsulfonylpiperidin-4-one
CID 18673809
1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride
CID 172898076

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfonyl)piperidin-4-one?
The IUPAC name of 1-(2-aminoethylsulfonyl)piperidin-4-one (CID 131168704) is 1-(2-aminoethylsulfonyl)piperidin-4-one.
What is the SMILES notation for 1-(2-aminoethylsulfonyl)piperidin-4-one?
The canonical SMILES for 1-(2-aminoethylsulfonyl)piperidin-4-one is NCCS(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(2-aminoethylsulfonyl)piperidin-4-one?
The InChIKey is VRZSHPCSBPKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c8-3-6-13(11,12)9-4-1-7(10)2-5-9/h1-6,8H2.
What are the key properties of 1-(2-aminoethylsulfonyl)piperidin-4-one?
1-(2-aminoethylsulfonyl)piperidin-4-one has a molecular weight of 206.27 g/mol, XLogP of -1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfonyl)piperidin-4-one is sourced from PubChem (CID 131168704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).