(R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide

C23H30N4OS — CID 130387083

IUPAC(R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)c1cc(-n2c(C)ccc2C)nnc1-c1ccccc1
InChIInChI=1S/C23H30N4OS/c1-7-20(26-29(28)23(4,5)6)19-15-21(27-16(2)13-14-17(27)3)24-25-22(19)18-11-9-8-10-12-18/h8-15,20,26H,7H2,1-6H3/t20-,29+/m0/s1
InChIKeyZCKRTACYWTVOCP-AFJIDDCJSA-N
MW410.59 g/mol
LogP5.05
Rot. Bonds6

About (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide (PubChem CID 130387083) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide
PubChem CID130387083
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name(R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)c1cc(-n2c(C)ccc2C)nnc1-c1ccccc1
InChIInChI=1S/C23H30N4OS/c1-7-20(26-29(28)23(4,5)6)19-15-21(27-16(2)13-14-17(27)3)24-25-22(19)18-11-9-8-10-12-18/h8-15,20,26H,7H2,1-6H3/t20-,29+/m0/s1
InChIKeyZCKRTACYWTVOCP-AFJIDDCJSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide (CID 130387083) is (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide is CC[C@H](N[S@](=O)C(C)(C)C)c1cc(-n2c(C)ccc2C)nnc1-c1ccccc1.
What is the InChIKey of (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZCKRTACYWTVOCP-AFJIDDCJSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-7-20(26-29(28)23(4,5)6)19-15-21(27-16(2)13-14-17(27)3)24-25-22(19)18-11-9-8-10-12-18/h8-15,20,26H,7H2,1-6H3/t20-,29+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 410.59 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 130387083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).