N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide

C16H25N3O3S — CID 50775970

IUPACN-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-2-11-19(23(21,22)15-6-4-3-5-7-15)12-8-16(20)18-13-9-17-10-14-18/h3-7,17H,2,8-14H2,1H3
InChIKeyDQJZWUDEIVPLMO-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.91
Rot. Bonds7

About N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide

N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide (PubChem CID 50775970) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
PubChem CID50775970
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-2-11-19(23(21,22)15-6-4-3-5-7-15)12-8-16(20)18-13-9-17-10-14-18/h3-7,17H,2,8-14H2,1H3
InChIKeyDQJZWUDEIVPLMO-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50776125
4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056610
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 94074212
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 46319302
N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056695
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzenesulfonamide
CID 50776046
N,N-dipropylbenzenesulfonamide
CID 4053954
N-butyl-4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056699
N-ethyl-4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775995
4-ethoxy-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319253
4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056500
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzenesulfonamide
CID 50775862

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide?
The IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide (CID 50775970) is N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide?
The canonical SMILES for N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide is CCCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide?
The InChIKey is DQJZWUDEIVPLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-11-19(23(21,22)15-6-4-3-5-7-15)12-8-16(20)18-13-9-17-10-14-18/h3-7,17H,2,8-14H2,1H3.
What are the key properties of N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide?
N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 50775970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).