N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide

C12H25N3OS — CID 119392220

IUPACN-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C12H25N3OS/c1-2-10-17-11-12(16)14-4-3-7-15-8-5-13-6-9-15/h13H,2-11H2,1H3,(H,14,16)
InChIKeyCGLWWOYYWHDLTP-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.54
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide

N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide (PubChem CID 119392220) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
PubChem CID119392220
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C12H25N3OS/c1-2-10-17-11-12(16)14-4-3-7-15-8-5-13-6-9-15/h13H,2-11H2,1H3,(H,14,16)
InChIKeyCGLWWOYYWHDLTP-UHFFFAOYSA-N
XLogP0.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
CID 119446583
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394423
2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446260
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391501
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide (CID 119392220) is N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide is CCCSCC(=O)NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide?
The InChIKey is CGLWWOYYWHDLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-2-10-17-11-12(16)14-4-3-7-15-8-5-13-6-9-15/h13H,2-11H2,1H3,(H,14,16).
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide?
N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide has a molecular weight of 259.42 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide is sourced from PubChem (CID 119392220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).