N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine

C16H22N4O2S — CID 97329487

IUPACN-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine
SMILESC[S@@](=O)CCCNc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C16H22N4O2S/c1-23(21)12-4-7-17-15-16(20-8-10-22-11-9-20)19-14-6-3-2-5-13(14)18-15/h2-3,5-6H,4,7-12H2,1H3,(H,17,18)/t23-/m1/s1
InChIKeyOFEWWFDMBDXQSD-HSZRJFAPSA-N
MW334.44 g/mol
LogP1.65
Rot. Bonds6

About N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine

N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine (PubChem CID 97329487) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine
PubChem CID97329487
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine
SMILESC[S@@](=O)CCCNc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C16H22N4O2S/c1-23(21)12-4-7-17-15-16(20-8-10-22-11-9-20)19-14-6-3-2-5-13(14)18-15/h2-3,5-6H,4,7-12H2,1H3,(H,17,18)/t23-/m1/s1
InChIKeyOFEWWFDMBDXQSD-HSZRJFAPSA-N
XLogP1.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine?
The IUPAC name of N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine (CID 97329487) is N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine.
What is the SMILES notation for N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine?
The canonical SMILES for N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine is C[S@@](=O)CCCNc1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine?
The InChIKey is OFEWWFDMBDXQSD-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-23(21)12-4-7-17-15-16(20-8-10-22-11-9-20)19-14-6-3-2-5-13(14)18-15/h2-3,5-6H,4,7-12H2,1H3,(H,17,18)/t23-/m1/s1.
What are the key properties of N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine?
N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine has a molecular weight of 334.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine is sourced from PubChem (CID 97329487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).