1-(3-decylsulfonylpropyl)piperazine

C17H36N2O2S — CID 150001783

IUPAC1-(3-decylsulfonylpropyl)piperazine
SMILESCCCCCCCCCCS(=O)(=O)CCCN1CCNCC1
InChIInChI=1S/C17H36N2O2S/c1-2-3-4-5-6-7-8-9-16-22(20,21)17-10-13-19-14-11-18-12-15-19/h18H,2-17H2,1H3
InChIKeyDBLFWPULYMSINL-UHFFFAOYSA-N
MW332.55 g/mol
LogP2.84
Rot. Bonds13

About 1-(3-decylsulfonylpropyl)piperazine

1-(3-decylsulfonylpropyl)piperazine (PubChem CID 150001783) has the molecular formula C17H36N2O2S and a molecular weight of 332.55 g/mol. Its IUPAC name is 1-(3-decylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-decylsulfonylpropyl)piperazine
PubChem CID150001783
Molecular FormulaC17H36N2O2S
Molecular Weight332.55 g/mol
Exact Mass332.25
IUPAC Name1-(3-decylsulfonylpropyl)piperazine
SMILESCCCCCCCCCCS(=O)(=O)CCCN1CCNCC1
InChIInChI=1S/C17H36N2O2S/c1-2-3-4-5-6-7-8-9-16-22(20,21)17-10-13-19-14-11-18-12-15-19/h18H,2-17H2,1H3
InChIKeyDBLFWPULYMSINL-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-decylsulfonylpropyl)piperazine 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-tricosylpiperazine
CID 130183651
ethane;1-octylpiperazine
CID 144711845
2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391501
diazanium;1-docosylpiperazine;dibromide
CID 157305429
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
1-octylsulfonylnonane
CID 19089492
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
zinc;1-hexadecyl-1,4,7,10-tetrazacyclododecane;hydroxide;perchlorate
CID 11071941
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256

Frequently Asked Questions

What is the IUPAC name of 1-(3-decylsulfonylpropyl)piperazine?
The IUPAC name of 1-(3-decylsulfonylpropyl)piperazine (CID 150001783) is 1-(3-decylsulfonylpropyl)piperazine.
What is the SMILES notation for 1-(3-decylsulfonylpropyl)piperazine?
The canonical SMILES for 1-(3-decylsulfonylpropyl)piperazine is CCCCCCCCCCS(=O)(=O)CCCN1CCNCC1.
What is the InChIKey of 1-(3-decylsulfonylpropyl)piperazine?
The InChIKey is DBLFWPULYMSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2S/c1-2-3-4-5-6-7-8-9-16-22(20,21)17-10-13-19-14-11-18-12-15-19/h18H,2-17H2,1H3.
What are the key properties of 1-(3-decylsulfonylpropyl)piperazine?
1-(3-decylsulfonylpropyl)piperazine has a molecular weight of 332.55 g/mol, XLogP of 2.84, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-decylsulfonylpropyl)piperazine is sourced from PubChem (CID 150001783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).