3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one

C14H26N2O3S — CID 109013810

IUPAC3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCN(CCC(=O)N1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-2-15(13-7-11-20(18,19)12-13)10-6-14(17)16-8-4-3-5-9-16/h13H,2-12H2,1H3
InChIKeyFUKPUKLAVXISMI-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.90
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one

3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 109013810) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID109013810
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCN(CCC(=O)N1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-2-15(13-7-11-20(18,19)12-13)10-6-14(17)16-8-4-3-5-9-16/h13H,2-12H2,1H3
InChIKeyFUKPUKLAVXISMI-UHFFFAOYSA-N
XLogP0.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-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

Related Compounds

1-(azepan-1-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
CID 109026751
N-(1,1-dioxothiolan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113140500
3-[(1,1-dioxothiolan-3-yl)-propylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980404
1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
CID 108996130
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55409034
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145629
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
CID 110617966
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140508
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848
3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 111114274

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one (CID 109013810) is 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one is CCN(CCC(=O)N1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is FUKPUKLAVXISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-15(13-7-11-20(18,19)12-13)10-6-14(17)16-8-4-3-5-9-16/h13H,2-12H2,1H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 302.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 109013810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).