N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine

C16H25NO4S2 — CID 1241269

IUPACN,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine
SMILESCCN(CC)CCC1S(=O)(=O)CC(c2ccccc2)CS1(=O)=O
InChIInChI=1S/C16H25NO4S2/c1-3-17(4-2)11-10-16-22(18,19)12-15(13-23(16,20)21)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13H2,1-2H3
InChIKeyAMGZKOBGNKPGFH-UHFFFAOYSA-N
MW359.51 g/mol
LogP1.67
Rot. Bonds6

About N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine

N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine (PubChem CID 1241269) has the molecular formula C16H25NO4S2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine
PubChem CID1241269
Molecular FormulaC16H25NO4S2
Molecular Weight359.51 g/mol
Exact Mass359.12
IUPAC NameN,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine
SMILESCCN(CC)CCC1S(=O)(=O)CC(c2ccccc2)CS1(=O)=O
InChIInChI=1S/C16H25NO4S2/c1-3-17(4-2)11-10-16-22(18,19)12-15(13-23(16,20)21)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13H2,1-2H3
InChIKeyAMGZKOBGNKPGFH-UHFFFAOYSA-N
XLogP1.67
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine (CID 1241269) is N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine is CCN(CC)CCC1S(=O)(=O)CC(c2ccccc2)CS1(=O)=O.
What is the InChIKey of N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine?
The InChIKey is AMGZKOBGNKPGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S2/c1-3-17(4-2)11-10-16-22(18,19)12-15(13-23(16,20)21)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine?
N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine has a molecular weight of 359.51 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,1,3,3-tetraoxo-5-phenyl-1,3-dithian-2-yl)ethanamine is sourced from PubChem (CID 1241269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).