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

C17H24N4OS — CID 130387150

IUPAC(R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)c1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C17H24N4OS/c1-5-14(21-23(22)17(2,3)4)13-11-15(18)19-20-16(13)12-9-7-6-8-10-12/h6-11,14,21H,5H2,1-4H3,(H2,18,19)/t14-,23+/m0/s1
InChIKeyMSZWGGJEHQRJFD-LFVRLGFBSA-N
MW332.47 g/mol
LogP3.23
Rot. Bonds5

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

(R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 130387150) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID130387150
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)c1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C17H24N4OS/c1-5-14(21-23(22)17(2,3)4)13-11-15(18)19-20-16(13)12-9-7-6-8-10-12/h6-11,14,21H,5H2,1-4H3,(H2,18,19)/t14-,23+/m0/s1
InChIKeyMSZWGGJEHQRJFD-LFVRLGFBSA-N
XLogP3.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide (CID 130387150) is (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide is CC[C@H](N[S@](=O)C(C)(C)C)c1cc(N)nnc1-c1ccccc1.
What is the InChIKey of (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MSZWGGJEHQRJFD-LFVRLGFBSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-5-14(21-23(22)17(2,3)4)13-11-15(18)19-20-16(13)12-9-7-6-8-10-12/h6-11,14,21H,5H2,1-4H3,(H2,18,19)/t14-,23+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 332.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 130387150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).