N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine

C18H24N2OS — CID 3084444

IUPACN,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine
SMILESCCN(CC)CCN=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-3-20(4-2)16-15-19-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyHSOWGTFAGFRXKH-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.91
Rot. Bonds7

About N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine

N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine (PubChem CID 3084444) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine
PubChem CID3084444
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine
SMILESCCN(CC)CCN=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-3-20(4-2)16-15-19-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyHSOWGTFAGFRXKH-UHFFFAOYSA-N
XLogP3.91
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine?
The IUPAC name of N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine (CID 3084444) is N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine?
The canonical SMILES for N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine is CCN(CC)CCN=S(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine?
The InChIKey is HSOWGTFAGFRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-20(4-2)16-15-19-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine?
N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine has a molecular weight of 316.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine is sourced from PubChem (CID 3084444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).