(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide

C11H16ClN3OS — CID 96532919

IUPAC(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide
SMILESCCCCS[C@H](C)C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3OS/c1-3-4-7-17-8(2)11(16)13-10-6-5-9(12)14-15-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,15,16)/t8-/m1/s1
InChIKeyPZDSVGVBYOAULQ-MRVPVSSYSA-N
MW273.79 g/mol
LogP2.99
Rot. Bonds6

About (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide

(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide (PubChem CID 96532919) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide
PubChem CID96532919
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide
SMILESCCCCS[C@H](C)C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3OS/c1-3-4-7-17-8(2)11(16)13-10-6-5-9(12)14-15-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,15,16)/t8-/m1/s1
InChIKeyPZDSVGVBYOAULQ-MRVPVSSYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(6-chloropyridazin-3-yl)propanamide
CID 107905835
(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 96532922
(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide
CID 95615900
N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide
CID 115673029
2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
CID 78762081
2-(2-butylsulfanylpropanoylamino)-4-chloro-N-propylbenzamide
CID 55919554
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 78762031
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
CID 86857995
4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
CID 115608608
2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide
CID 60546759
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
2-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide?
The IUPAC name of (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide (CID 96532919) is (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide.
What is the SMILES notation for (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide?
The canonical SMILES for (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide is CCCCS[C@H](C)C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide?
The InChIKey is PZDSVGVBYOAULQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-3-4-7-17-8(2)11(16)13-10-6-5-9(12)14-15-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide?
(2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide has a molecular weight of 273.79 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butylsulfanyl-N-(6-chloropyridazin-3-yl)propanamide is sourced from PubChem (CID 96532919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).