N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine

C17H23N3OS — CID 3054388

IUPACN,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine
SMILESCCN(CC)CCN=S(=O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H23N3OS/c1-3-20(4-2)14-13-19-22(21,16-9-6-5-7-10-16)17-11-8-12-18-15-17/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyGARDROZMOIDFRO-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.31
Rot. Bonds7

About N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine

N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine (PubChem CID 3054388) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine
PubChem CID3054388
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine
SMILESCCN(CC)CCN=S(=O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H23N3OS/c1-3-20(4-2)14-13-19-22(21,16-9-6-5-7-10-16)17-11-8-12-18-15-17/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyGARDROZMOIDFRO-UHFFFAOYSA-N
XLogP3.31
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine?
The IUPAC name of N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine (CID 3054388) is N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine is CCN(CC)CCN=S(=O)(c1ccccc1)c1cccnc1.
What is the InChIKey of N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine?
The InChIKey is GARDROZMOIDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-20(4-2)14-13-19-22(21,16-9-6-5-7-10-16)17-11-8-12-18-15-17/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine?
N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine has a molecular weight of 317.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine is sourced from PubChem (CID 3054388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).