N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide

C15H20N4OS — CID 6411504

IUPACN-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
SMILESCN(C)CCCNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C15H20N4OS/c1-19(2)9-5-8-16-14(20)11-21-15-13-7-4-3-6-12(13)10-17-18-15/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,16,20)
InChIKeyADLJRWGKCFNAEA-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.79
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide

N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 6411504) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
PubChem CID6411504
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
SMILESCN(C)CCCNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C15H20N4OS/c1-19(2)9-5-8-16-14(20)11-21-15-13-7-4-3-6-12(13)10-17-18-15/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,16,20)
InChIKeyADLJRWGKCFNAEA-UHFFFAOYSA-N
XLogP1.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
N-methyl-N-(4-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 51112968
2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 71898581
N-methyl-4-(phthalazin-1-ylsulfanylmethyl)benzamide
CID 56784451
3-phthalazin-1-ylsulfanylpropane-1,2-diol
CID 79682620
1-(3-methylpiperidin-1-yl)-2-phthalazin-1-ylsulfanylethanone
CID 134027362
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide (CID 6411504) is N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide is CN(C)CCCNC(=O)CSc1nncc2ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is ADLJRWGKCFNAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-19(2)9-5-8-16-14(20)11-21-15-13-7-4-3-6-12(13)10-17-18-15/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,16,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide?
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 304.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 6411504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).