N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide

C13H15N3O2S — CID 40543272

IUPACN-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
SMILESC[C@@H](O)CNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C13H15N3O2S/c1-9(17)6-14-12(18)8-19-13-11-5-3-2-4-10(11)7-15-16-13/h2-5,7,9,17H,6,8H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyBIAZCMRCOKYIFG-SECBINFHSA-N
MW277.35 g/mol
LogP1.22
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide

N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 40543272) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
PubChem CID40543272
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
SMILESC[C@@H](O)CNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C13H15N3O2S/c1-9(17)6-14-12(18)8-19-13-11-5-3-2-4-10(11)7-15-16-13/h2-5,7,9,17H,6,8H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyBIAZCMRCOKYIFG-SECBINFHSA-N
XLogP1.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
CID 42427689
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
CID 6411504
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 40558768
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
3-phthalazin-1-ylsulfanylpropane-1,2-diol
CID 79682620
N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025528

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide (CID 40543272) is N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide is C[C@@H](O)CNC(=O)CSc1nncc2ccccc12.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is BIAZCMRCOKYIFG-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(17)6-14-12(18)8-19-13-11-5-3-2-4-10(11)7-15-16-13/h2-5,7,9,17H,6,8H2,1H3,(H,14,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide?
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 40543272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).