2-(4-nonylpiperazin-1-yl)propanethioamide

C16H33N3S — CID 63341790

IUPAC2-(4-nonylpiperazin-1-yl)propanethioamide
SMILESCCCCCCCCCN1CCN(C(C)C(N)=S)CC1
InChIInChI=1S/C16H33N3S/c1-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)15(2)16(17)20/h15H,3-14H2,1-2H3,(H2,17,20)
InChIKeyVXGQXBXPIZNNJW-UHFFFAOYSA-N
MW299.53 g/mol
LogP3.03
Rot. Bonds10

About 2-(4-nonylpiperazin-1-yl)propanethioamide

2-(4-nonylpiperazin-1-yl)propanethioamide (PubChem CID 63341790) has the molecular formula C16H33N3S and a molecular weight of 299.53 g/mol. Its IUPAC name is 2-(4-nonylpiperazin-1-yl)propanethioamide.

Molecular Properties

Compound Name2-(4-nonylpiperazin-1-yl)propanethioamide
PubChem CID63341790
Molecular FormulaC16H33N3S
Molecular Weight299.53 g/mol
Exact Mass299.24
IUPAC Name2-(4-nonylpiperazin-1-yl)propanethioamide
SMILESCCCCCCCCCN1CCN(C(C)C(N)=S)CC1
InChIInChI=1S/C16H33N3S/c1-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)15(2)16(17)20/h15H,3-14H2,1-2H3,(H2,17,20)
InChIKeyVXGQXBXPIZNNJW-UHFFFAOYSA-N
XLogP3.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxybutyl)piperazin-1-yl]propanethioamide
CID 113436878
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanethioamide
CID 103409822
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propanethioamide
CID 63341482
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2-[4-(5-hydroxypentyl)piperazin-1-yl]pentanethioamide
CID 63341676
2-[4-(6-hydroxyhexyl)piperazin-1-yl]butanethioamide
CID 107703812
(4-hexylpiperazin-1-yl)methanedithiol
CID 58131417
4-nonylpiperazine-1-carboxamide
CID 13213299
2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342094

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonylpiperazin-1-yl)propanethioamide?
The IUPAC name of 2-(4-nonylpiperazin-1-yl)propanethioamide (CID 63341790) is 2-(4-nonylpiperazin-1-yl)propanethioamide.
What is the SMILES notation for 2-(4-nonylpiperazin-1-yl)propanethioamide?
The canonical SMILES for 2-(4-nonylpiperazin-1-yl)propanethioamide is CCCCCCCCCN1CCN(C(C)C(N)=S)CC1.
What is the InChIKey of 2-(4-nonylpiperazin-1-yl)propanethioamide?
The InChIKey is VXGQXBXPIZNNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3S/c1-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)15(2)16(17)20/h15H,3-14H2,1-2H3,(H2,17,20).
What are the key properties of 2-(4-nonylpiperazin-1-yl)propanethioamide?
2-(4-nonylpiperazin-1-yl)propanethioamide has a molecular weight of 299.53 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonylpiperazin-1-yl)propanethioamide is sourced from PubChem (CID 63341790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).