3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one

C12H25N3O3S — CID 55121142

IUPAC3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)CCNCC)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-11-19(17,18)15-9-7-14(8-10-15)12(16)5-6-13-4-2/h13H,3-11H2,1-2H3
InChIKeyPOEWEBIFJVRUEV-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.13
Rot. Bonds7

About 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one

3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 55121142) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID55121142
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)CCNCC)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-11-19(17,18)15-9-7-14(8-10-15)12(16)5-6-13-4-2/h13H,3-11H2,1-2H3
InChIKeyPOEWEBIFJVRUEV-UHFFFAOYSA-N
XLogP-0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275
3-(ethylamino)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 62831735
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
3-(aminomethyl)-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 81086907
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110804913
2-methyl-3-oxo-3-(4-propylsulfonylpiperazin-1-yl)propanoic acid
CID 114897648
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one (CID 55121142) is 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one is CCCS(=O)(=O)N1CCN(C(=O)CCNCC)CC1.
What is the InChIKey of 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is POEWEBIFJVRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-11-19(17,18)15-9-7-14(8-10-15)12(16)5-6-13-4-2/h13H,3-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 291.42 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 55121142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).