3-(4-propylsulfonylpiperazin-1-yl)propanenitrile

C10H19N3O2S — CID 28705422

IUPAC3-(4-propylsulfonylpiperazin-1-yl)propanenitrile
SMILESCCCS(=O)(=O)N1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-2-10-16(14,15)13-8-6-12(7-9-13)5-3-4-11/h2-3,5-10H2,1H3
InChIKeySSEJHVQZUIJWIL-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.26
Rot. Bonds5

About 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile

3-(4-propylsulfonylpiperazin-1-yl)propanenitrile (PubChem CID 28705422) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-propylsulfonylpiperazin-1-yl)propanenitrile
PubChem CID28705422
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-(4-propylsulfonylpiperazin-1-yl)propanenitrile
SMILESCCCS(=O)(=O)N1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-2-10-16(14,15)13-8-6-12(7-9-13)5-3-4-11/h2-3,5-10H2,1H3
InChIKeySSEJHVQZUIJWIL-UHFFFAOYSA-N
XLogP0.26
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile 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

3-(4-Methylpiperazin-1-yl)propane-1-sulfonyl chloride dihydrochloride
CID 22007517
Cambridge id 6502799
CID 1529500
1-Ethylsulfonyl-4-pentan-3-ylpiperazine
CID 777525
N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide
CID 56806273
3-cyano-N-[2-(dimethylamino)ethyl]-N-methylpropane-1-sulfonamide
CID 71975642
3-(4-Methylpiperazin-1-YL)propane-1-sulfonyl chloride
CID 22007518
1-Butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine
CID 130440602
Piperazine, 1-(ethylsulfonyl)-4-methyl-
CID 222674
4-Ethylsulfonyl-1,1-dimethyl-piperazin-1-ium hydroiodide
CID 504335
1-Ethylsulfonyl-4-propan-2-ylpiperazine
CID 740714
1-(Butan-2-yl)-4-(ethylsulfonyl)piperazine
CID 2901815
4-(1,4-Dimethylpiperazin-1-ium-1-yl)butane-1-sulfonate
CID 155817885

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile?
The IUPAC name of 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile (CID 28705422) is 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile is CCCS(=O)(=O)N1CCN(CCC#N)CC1.
What is the InChIKey of 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile?
The InChIKey is SSEJHVQZUIJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-10-16(14,15)13-8-6-12(7-9-13)5-3-4-11/h2-3,5-10H2,1H3.
What are the key properties of 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile?
3-(4-propylsulfonylpiperazin-1-yl)propanenitrile has a molecular weight of 245.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylsulfonylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 28705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).